SCHEMBL17229702

SCHEMBL17229702

CC(C)S(=O)(=O)C1CCC1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 1/20 0.33
ADH1C P00326 1/20 0.33
ADH1A P07327 1/20 0.33
ACHE P22303 1/20 0.32
MMP1 P03956 1/20 0.32
MMP7 P09237 1/20 0.32
MMP12 P39900 1/20 0.32
ECE1 P42892 1/20 0.32
MMP13 P45452 1/20 0.32
GRIA4 P48058 3/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2600356 0.94 MMP1 (0.35) ADH1BADH1CADH1AMMP1MMP7
SCHEMBL10296015 0.92 MMP1 (0.38) ADH1BADH1CADH1AMMP1MMP7
SCHEMBL12415514 0.92 MMP1 (0.38) ADH1BADH1CADH1AMMP1MMP7
SCHEMBL2600354 0.88
SCHEMBL2538628 0.79 ADH1B (0.31) ADH1BADH1CADH1AACHEMMP1
SCHEMBL8481304 0.77 GABRA1 (0.50)
SCHEMBL2103979 0.77
SCHEMBL14667090 0.77 PIK3CD (0.33)
SCHEMBL15837580 0.75 HTR2A (0.36)
SCHEMBL20715145 0.74 SMN1; SMN2 (0.33)

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230150993-A1 ANTIPROLIFERATION COMPOUNDS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED 2023-05-18 US disclosed
US-20230150993-A1 ANTIPROLIFERATION COMPOUNDS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED 2023-05-18 US disclosed
US-11649240-B2 Substituted 4-phenylpiperidines, their preparation and use THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2023-05-16 US disclosed
US-20220153722-A1 CDK2/5 DEGRADERS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2022-05-19 US disclosed
US-10815225-B2 Antiproliferation compounds and uses thereof MERCK PATENT GMBH (DE) 2020-10-27 US disclosed
US-20190322658-A1 ANTIPROLIFERATION COMPOUNDS AND USES THEREOF MERCK PATENT GMBH (DE) 2019-10-24 US disclosed
US-20180222919-A1 N-ALKYL-2-PHENOXYETHANAMINES, THEIR PREPARATION AND USE THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2018-08-09 US disclosed
US-9944644-B2 Octahydropyrrolopyrroles their preparation and use THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2018-04-17 US disclosed
US-9938291-B2 N-alkyl-2-phenoxyethanamines, their preparation and use THE TRUSTESS OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2018-04-10 US disclosed
US-9926271-B2 Octahydrocyclopentapyrroles, their preparation and use THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2018-03-27 US disclosed
US-20180030060-A1 SUBSTITUTED 4-PHENYLPIPERIDINES, THEIR PREPARATION AND USE THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2018-02-01 US disclosed
US-9777010-B2 Substituted 4-phenylpiperidines, their preparation and use THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2017-10-03 US disclosed
US-20170247327-A1 OCTAHYDROCYCLOPENTAPYRROLES, THEIR PREPARATION AND USE THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2017-08-31 US disclosed
US-9637450-B2 Octahydrocyclopentapyrroles, their preparation and use THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2017-05-02 US disclosed
US-20160368925-A1 SUBSTITUTED 4-PHENYLPIPERIDINES, THEIR PREPARATION AND USE THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2016-12-22 US disclosed
US-9434727-B2 Substituted 4-phenylpiperidines, their preparation and use THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2016-09-06 US disclosed
US-20160046632-A1 OCTAHYDROPYRROLOPYRROLES THEIR PREPARATION AND USE THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2016-02-18 US disclosed
US-20160046649-A1 N-ALKYL-2-PHENOXYETHANAMINES, THEIR PREPARATION AND USE THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2016-02-18 US disclosed
US-20160024007-A1 OCTAHYDROCYCLOPENTAPYRROLES, THEIR PREPARATION AND USE THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2016-01-28 US disclosed
US-20150315197-A1 SUBSTITUTED 4-PHENYLPIPERIDINES, THEIR PREPARATION AND USE THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2015-11-05 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (13 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20150315197-A1 SUBSTITUTED 4-PHENYLPIPERIDINES, THEIR PREPARATION AND USE HRH4, HRH3, HRH2 ADH1B 2079/4885ADH1C 566/4885ADH1A 1538/4885
US-20160046632-A1 OCTAHYDROPYRROLOPYRROLES THEIR PREPARATION AND USE QDPR, DPYD, DHPS ADH1B 1937/4885ADH1C 518/4885ADH1A 1068/4885
US-20160368925-A1 SUBSTITUTED 4-PHENYLPIPERIDINES, THEIR PREPARATION AND USE HRH4, HRH3, HRH2 ADH1B 2109/4885ADH1C 587/4885ADH1A 1550/4885
US-20190322658-A1 ANTIPROLIFERATION COMPOUNDS AND USES THEREOF MKI67, MCL1, CCNI ADH1B 394/4885ADH1C 1659/4885ADH1A 1507/4885
US-20180030060-A1 SUBSTITUTED 4-PHENYLPIPERIDINES, THEIR PREPARATION AND USE HRH4, HRH3, HRH2 ADH1B 2079/4885ADH1C 566/4885ADH1A 1538/4885
US-20170247327-A1 OCTAHYDROCYCLOPENTAPYRROLES, THEIR PREPARATION AND USE CLN6, ALDH1A2, C1S ADH1B 441/4885ADH1C 1762/4885ADH1A 2805/4885
US-20230150993-A1 ANTIPROLIFERATION COMPOUNDS AND USES THEREOF MKI67, MCL1, CCNI ADH1B 394/4885ADH1C 1659/4885ADH1A 1507/4885
US-10815225-B2 Antiproliferation compounds and uses thereof MKI67, MCL1, CCNI ADH1B 394/4885ADH1C 1659/4885ADH1A 1507/4885
US-20220153722-A1 CDK2/5 DEGRADERS AND USES THEREOF CDK2, CDK5, CDK5R1 ADH1B 3626/4885ADH1C 4387/4885ADH1A 4518/4885
US-20160046649-A1 N-ALKYL-2-PHENOXYETHANAMINES, THEIR PREPARATION AND USE HRH3, CBR3, KCNH3 ADH1B 3497/4885ADH1C 554/4885ADH1A 1607/4885
US-20180222919-A1 N-ALKYL-2-PHENOXYETHANAMINES, THEIR PREPARATION AND USE HRH3, CBR3, KCNH3 ADH1B 3497/4885ADH1C 554/4885ADH1A 1607/4885
US-20160024007-A1 OCTAHYDROCYCLOPENTAPYRROLES, THEIR PREPARATION AND USE CLN6, ALDH1A2, C1S ADH1B 441/4885ADH1C 1762/4885ADH1A 2805/4885
US-11649240-B2 Substituted 4-phenylpiperidines, their preparation and use HRH4, HRH3, HRH2 ADH1B 2079/4885ADH1C 566/4885ADH1A 1538/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.