SCHEMBL20150203

SCHEMBL20150203

CC(C)(CO)NC(=O)c1ccc([N+](=O)[O-])c(S(C)(=O)=O)c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
ATM Q13315 1/20 0.50
VCAM1 P19320 1/20 0.49
LMNA P02545 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
MAPT P10636 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
HTT P42858 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
GPR55 Q9Y2T6 1/20 0.46
THRA P10827 9/20 0.46
THRB P10828 12/20 0.45
VDR P11473 1/20 0.43
POLB P06746 1/20 0.43
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL20978822 0.81 NPC1 (0.48) NPC1RAB9AATMLMNACYP1A2
SCHEMBL20150202 0.80 NPC1 (0.47) NPC1RAB9AATMLMNACYP1A2
SCHEMBL20150216 0.78 VCAM1 (0.55) NPC1ATMVCAM1MAPTHTT
SCHEMBL18113472 0.78 CASP6 (0.62) VCAM1LMNAPOLB
SCHEMBL21538816 0.72 ALDH1A1 (0.46) VCAM1MAPTTHRATHRBALDH1A1
SCHEMBL11498444 0.71 CA1 (0.60) NPC1RAB9AATMLMNAMAPT
SCHEMBL18496587 0.71 HTT (0.55) NPC1RAB9AATMLMNAMAPT
SCHEMBL2759010 0.71 NPC1 (0.61) NPC1RAB9AATMLMNACYP2C19
SCHEMBL5940574 0.70 MAPT (0.63) NPC1RAB9AVCAM1LMNACYP1A2
SCHEMBL6415835 0.70 MAPT (0.55) NPC1RAB9AATMLMNACYP1A2

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-20180134700-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-05-17 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-20180134700-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 NPC1 4595/4885RAB9A 3462/4885ATM 759/4885

“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.