SCHEMBL17680740

SCHEMBL17680740

Cc1cc2ccc(S(C)(=O)=O)cc2n1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.43
KMT2A Q03164 8/20 0.43
ALDH1A1 P00352 7/20 0.43
MAPT P10636 6/20 0.43
THRB P10828 5/20 0.43
ACSS2 Q9NR19 1/20 0.43
RECQL P46063 5/20 0.42
NPSR1 Q6W5P4 2/20 0.42
FGB P02675 1/20 0.42
PABPC1 P11940 1/20 0.42
PPARG P37231 1/20 0.42
NCOA2 Q15596 1/20 0.42
NCOA1 Q15788 1/20 0.42
NCOA3 Q9Y6Q9 1/20 0.42
CREBBP Q92793 1/20 0.40
HTT P42858 1/20 0.38
USP2 O75604 1/20 0.38
ESR1 P03372 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38

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
SCHEMBL28312591 0.84 CA1 (0.50) MEN1KMT2AALDH1A1MAPTTHRB
SCHEMBL19539161 0.81 ACSS2 (0.40) ACSS2CREBBPAKR1C3AKR1C2BRPF1
SCHEMBL17680554 0.78 ACSS2 (0.40) ACSS2CREBBPAKR1C3AKR1C2BRPF1
SCHEMBL19531697 0.78 AKR1C3 (0.44) ACSS2CREBBPAKR1C3AKR1C2BRPF1
SCHEMBL19538923 0.76 AKR1C3 (0.42) ACSS2CREBBPAKR1C3AKR1C2BRPF1
SCHEMBL7873238 0.74 NOD2 (0.52) MEN1KMT2AMAPTCYP2C9
SCHEMBL2177417 0.73 CYP2A6 (0.51) ACSS2AKR1C3AKR1C2G6PDIDE
SCHEMBL5986735 0.72 MAPT (0.52) MEN1KMT2AALDH1A1MAPTTHRB
SCHEMBL19538993 0.72 AKR1C3 (0.40) ALDH1A1ACSS2CREBBPAKR1C3AKR1C2
SCHEMBL12508320 0.71 AKR1C3 (0.58) AKR1C3AKR1C2GAAG6PDIDE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3204360-B1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH INC (US) 2020-08-26 EP disclosed
US-20170312292-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF WUXI APPTEC (SHANGHAI) CO. LTD (CN) 2017-11-02 US disclosed
WO-2016055028-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2016-04-14 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 (1 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-20170312292-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF EP300, CREBBP, HDAC1 MEN1 1807/4885KMT2A 264/4885ALDH1A1 1533/4885

“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.