SCHEMBL17680554

SCHEMBL17680554

CCc1cc2ccc(S(C)(=O)=O)cc2n1C

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACSS2 Q9NR19 1/20 0.40
BRD4 O60885 2/20 0.40
CREBBP Q92793 1/20 0.38
CNR1 P21554 1/20 0.37
TSHR P16473 1/20 0.36
BRPF1 P55201 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
KDM4E B2RXH2 1/20 0.35
AKR1C3 P42330 2/20 0.35
AKR1C2 P52895 2/20 0.35
DRD2 P14416 1/20 0.35
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
S1PR1 P21453 1/20 0.34
CA2 P00918 1/20 0.34

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
SCHEMBL17680740 0.78 MEN1 (0.43) ACSS2CREBBPBRPF1AKR1C3AKR1C2
SCHEMBL19531697 0.74 AKR1C3 (0.44) ACSS2BRD4CREBBPCNR1BRPF1
SCHEMBL19539161 0.74 ACSS2 (0.40) ACSS2BRD4CREBBPBRPF1AKR1C3
SCHEMBL16979074 0.74 CYP1A2 (0.44) NPC1RAB9AAKR1C3AKR1C2MTNR1A
SCHEMBL7873238 0.73 NOD2 (0.52) TSHRKDM4E
SCHEMBL17680556 0.73 PSMB8 (0.39)
SCHEMBL19538923 0.72 AKR1C3 (0.42) ACSS2BRD4CREBBPBRPF1AKR1C3
SCHEMBL19538993 0.72 AKR1C3 (0.40) ACSS2BRD4CREBBPTSHRBRPF1
SCHEMBL23904366 0.70 NAMPT (0.44) ACSS2AKR1C3AKR1C2
SCHEMBL1882418 0.70 KMT2A (0.50)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ACSS2 822/4885BRD4 18/4885CREBBP 2/4885

“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.