SCHEMBL27100409

SCHEMBL27100409

Cc1cnc(-c2ccc(N(C)C(C)C)c(C)c2)s1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 5/20 0.39
HSD17B2 P37059 5/20 0.39
MMP12 P39900 1/20 0.36
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
HDAC4 P56524 1/20 0.33
LATS1 O95835 1/20 0.32
LATS2 Q9NRM7 1/20 0.32
SNCA P37840 2/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
STS P08842 1/20 0.31
P2RX3 P56373 2/20 0.31
P2RX2 Q9UBL9 2/20 0.31
SRC P12931 1/20 0.31
CDK2 P24941 1/20 0.31
ZAP70 P43403 1/20 0.31
SYK P43405 1/20 0.31
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 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
SCHEMBL1027182 0.73 HDAC4 (0.40) HSD17B1HSD17B2MMP12HDAC4
SCHEMBL1027887 0.70 CDC7 (0.40) HSD17B1HSD17B2HDAC4CDK2HCRTR1
SCHEMBL27397769 0.69 HSD17B1 (0.38) HSD17B1HSD17B2MMP12ADORA2AADORA1
SCHEMBL21614624 0.69 KMO (0.40) HSD17B1HSD17B2HDAC4SNCACYP3A4
SCHEMBL17149172 0.69 NOS1 (0.40) HSD17B1HSD17B2ADORA2AADORA1HDAC4
SCHEMBL17589831 0.68 NPC1 (0.44) HDAC4PIK3CD
SCHEMBL890173 0.68 RAB9A (0.50) HDAC4P2RX3P2RX2
SCHEMBL13032502 0.67 SNCA (0.65) HSD17B1HSD17B2HDAC4SNCACYP3A4
SCHEMBL890214 0.67 SMN1; SMN2 (0.47) HDAC4SRCCDK2ZAP70SYK
SCHEMBL18924020 0.67 TDP1 (0.38) CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same TREVENA, INC. (US) 2024-02-27 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 (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-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same S1PR1, S1PR2, S1PR3 HSD17B1 2149/4885HSD17B2 2368/4885MMP12 1952/4885

“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.