SCHEMBL9891903

SCHEMBL9891903

CC(C)C(=O)NC(C)(C)CC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.44
EPHX1 P07099 2/20 0.42
HTT P42858 4/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MAPT P10636 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PIK3CD O00329 1/20 0.32
TSHR P16473 1/20 0.32
DUT P33316 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TP53 P04637 1/20 0.31
HPGD P15428 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
DPP4 P27487 1/20 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
SCHEMBL27264586 0.91 PIK3CD (0.34) POLBEPHX1SMN1; SMN2PIK3CDTSHR
SCHEMBL25620919 0.87 PIK3CD (0.34) POLBEPHX1PIK3CDTSHR
SCHEMBL19227414 0.83 POLB (0.42) POLBEPHX1HTTSMN1; SMN2MAPT
SCHEMBL19245616 0.83 DPP4 (0.32) POLBPIK3CDTSHRDPP4
SCHEMBL20143695 0.83 TSHR (0.33) POLBSMN1; SMN2PIK3CDTSHRALDH1A1
SCHEMBL27264484 0.83 POLB (0.31) POLBPIK3CDTSHR
SCHEMBL23818386 0.81 EPHX1 (0.32) POLBEPHX1
SCHEMBL8279457 0.81 POLB (0.41) POLBEPHX1HTTSMN1; SMN2MEN1
SCHEMBL19750459 0.79 POLB (0.40) POLBEPHX1HTTSMN1; SMN2MAPT
SCHEMBL12327891 0.79 POLB (0.40) POLBEPHX1HTTSMN1; SMN2MAPT

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230357199-A1 ARYL, HETEROARYL, AND HETEROCYCLIC PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. 2023-11-09 US disclosed
US-11708351-B2 Aryl, heteroaryl, and heterocyclic pharmaceutical compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2023-07-25 US disclosed
US-20200039968-A9 EZH2 INHIBITORS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-02-06 US disclosed
US-20190135796-A1 EZH2 INHIBITORS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2019-05-09 US disclosed
WO-2019023575-A1 IMMUNOMODULATOR COMPOUNDS CHEMOCENTRYX, INC. (US) 2019-01-31 WO disclosed
EP-2738190-B1 AMPHIPHILIC MACROMOLECULE AND USE BEIJING JUNLUN RUNZHONG SCIENCE&TECHNOLOGY CO LTD (CN) 2017-08-09 EP disclosed
US-8629157-B2 Pyrrolidine compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-14 US disclosed
US-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-07 US disclosed
US-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-07 US disclosed
US-4137304-A TOPICAL OR ORAL ADMINISTERED TOBACCO PRODUCT WILKINSON SWORD LIMITED (GB) 1979-01-30 US disclosed
US-4137305-A TOBACCO WILKINSON SWORD LIMITED (GB) 1979-01-30 US disclosed
US-4136164-A FOR USE IN FOODS, TOPICAL PREPARATIONS, AND TOBACCO WILKINSON SWORD LIMITED (GB) 1979-01-23 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 (5 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-20190135796-A1 EZH2 INHIBITORS AND USES THEREOF EZH2, EZH1, BMI1 POLB 889/4885EPHX1 756/4885HTT 3496/4885
US-20200039968-A9 EZH2 INHIBITORS AND USES THEREOF EZH2, EZH1, BMI1 POLB 889/4885EPHX1 756/4885HTT 3496/4885
US-11708351-B2 Aryl, heteroaryl, and heterocyclic pharmaceutical compounds for treatment of medical disorders CFD, TFPI, CFH POLB 3304/4885EPHX1 664/4885HTT 2071/4885
US-20230357199-A1 ARYL, HETEROARYL, AND HETEROCYCLIC PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS CFD, TFPI, CFH POLB 3304/4885EPHX1 664/4885HTT 2071/4885
US-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 POLB 2879/4885EPHX1 1834/4885HTT 3335/4885

“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.