SCHEMBL3880937

SCHEMBL3880937

COC(=O)c1ccc(CNC(=O)c2cccc(CN(C)S(=O)(=O)c3cc4ccccc4s3)c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.52
CYP2C9 P11712 1/20 0.46
ALDH1A1 P00352 3/20 0.46
MAPT P10636 2/20 0.46
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
CXCR3 P49682 1/20 0.44
ROCK2 O75116 3/20 0.43
KDM4E B2RXH2 2/20 0.43
CYP3A4 P08684 2/20 0.43
PPARG P37231 1/20 0.43
NR2E3 Q9Y5X4 1/20 0.43
NCOR2 Q9Y618 1/20 0.43
CNR2 P34972 2/20 0.43
MMP13 P45452 1/20 0.43
POLB P06746 1/20 0.43
HDAC1 Q13547 2/20 0.42
CYP2C19 P33261 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 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
SCHEMBL3876863 0.91 NR1H4 (0.49) RAB9ACYP2C9ALDH1A1MAPTLMNA
SCHEMBL3872970 0.90 ROCK2 (0.45) RAB9ACYP2C9ALDH1A1MAPTLMNA
SCHEMBL3879707 0.89 RAB9A (0.53) RAB9AALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL3882913 0.87 LSS (0.48) RAB9AALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL3880933 0.83 CYP2C9 (0.47) RAB9ACYP2C9ALDH1A1MAPTSMN1; SMN2
SCHEMBL3881039 0.83 POLB (0.57) RAB9AALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL3886237 0.80 TRPM8 (0.49) ALDH1A1MAPTLMNASMN1; SMN2MMP13
SCHEMBL3882723 0.79 ALDH1A1 (0.51) ALDH1A1LMNASMN1; SMN2CXCR3CNR2
SCHEMBL3874660 0.79 ROCK2 (0.49) RAB9AALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL3887293 0.78 MAPT (0.49) RAB9AALDH1A1MAPTLMNASMN1; SMN2

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
EP-1814846-B1 11BETA-HSD1 INHIBITORS EVOTEC AG (DE) 2009-04-08 EP disclosed
US-20090069323-A1 11beta-hsdi inhibitors EVOTEC AG (DE) 2009-03-12 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-20090069323-A1 11beta-hsdi inhibitors HSD3B1, HSD3B2, HSD11B1 RAB9A 4300/4885CYP2C9 97/4885ALDH1A1 210/4885

“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.