SCHEMBL623923

SCHEMBL623923

CS(=O)(=O)c1ccc(C2(C(=O)c3ccccn3)CCC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.41
ALDH1A1 P00352 2/20 0.40
HTT P42858 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
PTGS1 P23219 3/20 0.39
TP53 P04637 1/20 0.39
MAPK1 P28482 1/20 0.39
AKT1 P31749 1/20 0.38
AKT2 P31751 1/20 0.38
PKM P14618 1/20 0.38
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
NR3C1 P04150 1/20 0.38
KCNH2 Q12809 1/20 0.38
FPR2 P25090 1/20 0.37
GRM5 P41594 1/20 0.37
GRM4 Q14833 1/20 0.37

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
SCHEMBL626177 0.84 ALDH1A1 (0.44) PTGS2ALDH1A1HTTNPC1RAB9A
SCHEMBL625186 0.81 P2RX7 (0.46) PTGS2ALDH1A1HTTNPC1RAB9A
SCHEMBL624814 0.81 ALDH1A1 (0.47) ALDH1A1HTTNPC1RAB9ASMN1; SMN2
SCHEMBL626043 0.81 LMNA (0.47) ALDH1A1HTTNPC1RAB9ACES2
SCHEMBL625583 0.78 ALDH1A1 (0.44) ALDH1A1HTTNPC1RAB9ASMN1; SMN2
SCHEMBL625042 0.78 HTT (0.47) ALDH1A1HTTRAB9ASMN1; SMN2CES2
SCHEMBL15011536 0.78 TLR7 (0.51) ALDH1A1HTTTP53CES2CES1
SCHEMBL624820 0.78 RAB9A (0.48) ALDH1A1HTTNPC1RAB9ASMN1; SMN2
SCHEMBL14893836 0.75 TRPV3 (0.52) ALDH1A1NPC1RAB9ASMN1; SMN2CES2
SCHEMBL626126 0.75 HSD17B14 (0.43) ALDH1A1HTTRAB9ACES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9156788-B2 TRPV3 modulators ABBVIE INC. (US) 2015-10-13 US disclosed
EP-2603490-A1 NOVEL TRPV3 MODULATORS AbbVie Inc. (US) 2013-06-19 EP disclosed
US-20130150409-A1 NOVEL TRPV3 MODULATORS ABBVIE INC. (US) 2013-06-13 US disclosed
WO-2012019315-A1 NOVEL TRPV3 MODULATORS ABBOTT LABORATORIES (US) 2012-02-16 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-20130150409-A1 NOVEL TRPV3 MODULATORS TRPV3, TRPV4, TRPV5 PTGS2 559/4885ALDH1A1 2560/4885HTT 3886/4885

“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.