SCHEMBL17410693

SCHEMBL17410693

CC1(c2csc(C=O)c2)NCCc2ccc(Cl)cc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 5/20 0.42
HTR2C P28335 5/20 0.42
F7 P08709 1/20 0.35
PARP1 P09874 1/20 0.35
F3 P13726 1/20 0.35
PARP10 Q53GL7 1/20 0.35
CMA1 P23946 1/20 0.34
AHR P35869 1/20 0.34
HTR2B P41595 4/20 0.33
PGR P06401 1/20 0.33
SRD5A1 P18405 5/20 0.32
PNMT P11086 1/20 0.32
ADRB1 P08588 1/20 0.32
HTR1A P08908 1/20 0.32
ADRA2A P08913 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32
CNR1 P21554 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32

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
SCHEMBL17410284 0.85 ALDH1A1 (0.34) PGRSRD5A1
SCHEMBL29991510 0.85 ALDH1A1 (0.34) PGRSRD5A1
SCHEMBL21205388 0.79 HTR2A (0.40) HTR2AHTR2CF7PARP1F3
SCHEMBL17398539 0.76 POLB (0.35) HTR2AHTR2CCMA1AHRPGR
Hydrochloric Acid SCHEMBL9377486 0.74 HTR2A (0.50) HTR2AHTR2CF7PARP1F3
Hydrochloric Acid SCHEMBL9377127 0.65 HTR2A (0.41) HTR2AHTR2C
Hydrochloric Acid SCHEMBL9378577 0.64 HTR2A (0.41) HTR2AHTR2CHTR2BSLC6A2SLC6A4
SCHEMBL23956497 0.64 SLC6A4 (0.34) HTR2AHTR2CHTR2BADRB1HTR1A
SCHEMBL17398643 0.64 SLC6A4 (0.34) HTR2AHTR2CHTR2BADRB1HTR1A
SCHEMBL17410289 0.64 CYP3A4 (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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230293522-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF SUMO ACTIVATING ENZYME TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-09-21 US disclosed
US-20230293522-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF SUMO ACTIVATING ENZYME TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-09-21 US disclosed
EP-3901159-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF SUMO ACTIVATING ENZYME Millennium Pharmaceuticals, Inc. (US) 2021-10-27 EP disclosed
EP-3517112-B1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF SUMO ACTIVATING ENZYME MILLENNIUM PHARM INC (US) 2021-04-07 EP disclosed
US-10780090-B2 Heteroaryl compounds useful as inhibitors of SUMO activating enzyme MILLENNIUM PHARMACEUTICALS, INC. (US) 2020-09-22 US disclosed
EP-3517112-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF SUMO ACTIVATING ENZYME Millennium Pharmaceuticals, Inc. (US) 2019-07-31 EP disclosed
US-10335410-B2 Heteroaryl compounds useful as inhibitors of sumo activating enzyme MILLENNIUM PHARMACEUTICALS, INC. (US) 2019-07-02 US disclosed
US-9962386-B2 Heteroaryl compounds useful as inhibitors of SUMO activating enzyme MILLENNIUM PHARMACEUTICALS, INC. (US) 2018-05-08 US disclosed
US-20170216290-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF SUMO ACTIVATING ENZYME MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-08-03 US disclosed
US-20170216290-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF SUMO ACTIVATING ENZYME MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-08-03 US disclosed
US-9683003-B2 Heteroaryl compounds useful as inhibitors of SUMO activating enzyme MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-06-20 US disclosed
US-9683003-B2 Heteroaryl compounds useful as inhibitors of SUMO activating enzyme MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-06-20 US disclosed
US-20170002032-A9 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF SUMO ACTIVATING ENZYME MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-01-05 US disclosed
US-20170002032-A9 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF SUMO ACTIVATING ENZYME MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-01-05 US disclosed
US-20160009744-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF SUMO ACTIVATING ENZYME MILLENNIUM PHARMACEUTICALS, INC. (US) 2016-01-14 US disclosed
US-20160009744-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF SUMO ACTIVATING ENZYME MILLENNIUM PHARMACEUTICALS, INC. (US) 2016-01-14 US disclosed
WO-2016004136-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF SUMO ACTIVATING ENZYME DUFFEY MATTHEW O (US) 2016-01-07 WO 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 (6 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-10335410-B2 Heteroaryl compounds useful as inhibitors of sumo activating enzyme SAE1, SUMO1, SUMO3 HTR2A 2251/4885HTR2C 2437/4885F7 3612/4885
US-20170002032-A9 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF SUMO ACTIVATING ENZYME SAE1, SUMO1, SUMO3 HTR2A 2251/4885HTR2C 2437/4885F7 3612/4885
US-20230293522-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF SUMO ACTIVATING ENZYME SAE1, SUMO1, SUMO3 HTR2A 2251/4885HTR2C 2437/4885F7 3612/4885
US-20170216290-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF SUMO ACTIVATING ENZYME SAE1, SUMO1, SUMO3 HTR2A 2251/4885HTR2C 2437/4885F7 3612/4885
US-10780090-B2 Heteroaryl compounds useful as inhibitors of SUMO activating enzyme SAE1, SUMO1, SUMO3 HTR2A 2251/4885HTR2C 2437/4885F7 3612/4885
US-20160009744-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF SUMO ACTIVATING ENZYME SAE1, SUMO1, SUMO3 HTR2A 2251/4885HTR2C 2437/4885F7 3612/4885

“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.