SCHEMBL5338788

SCHEMBL5338788

COc1ccc(C(=O)NCc2cc3ccccc3s2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.56
CYP1A2 P05177 2/20 0.56
CYP3A4 P08684 2/20 0.56
CYP2C19 P33261 2/20 0.56
GAA P10253 1/20 0.56
CYP2C9 P11712 1/20 0.56
NPC1 O15118 5/20 0.56
RAB9A P51151 5/20 0.56
MEN1 O00255 5/20 0.55
HDAC1 Q13547 2/20 0.53
ALDH1A1 P00352 3/20 0.52
HSD17B10 Q99714 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
KDM4E B2RXH2 1/20 0.52
TP53 P04637 1/20 0.52
HPGD P15428 1/20 0.52
PKM P14618 1/20 0.51
HTT P42858 1/20 0.51
SCD O00767 2/20 0.51
LOX P28300 2/20 0.51

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
SCHEMBL24272310 0.83 PRSS12 (0.56) KMT2ANPC1RAB9AMEN1HDAC1
SCHEMBL5342744 0.81 HDAC1 (0.55) RAB9AHDAC1LOXLOXL2PRSS12
SCHEMBL5350981 0.78 PRSS12 (0.53) KMT2ACYP1A2CYP3A4CYP2C19GAA
SCHEMBL1177441 0.77 CYP2A6 (0.63) NPC1RAB9AHDAC1ALDH1A1SMN1; SMN2
SCHEMBL17202891 0.76 ALDH1A1 (0.57) KMT2ACYP1A2CYP3A4CYP2C19GAA
SCHEMBL17209263 0.75 CASR (0.54) KMT2ACYP1A2CYP3A4CYP2C19GAA
SCHEMBL5350551 0.75 RAB9A (0.76) KMT2ACYP2C9NPC1RAB9AMEN1
SCHEMBL18362009 0.74 CYP2A6 (0.59) RAB9AHDAC1LOXL2ADRB2CYP2A6
SCHEMBL1259370 0.74 CYP2A6 (0.58) CYP1A2GAAHDAC1LOXLOXL2
SCHEMBL1177006 0.74 CYP2A6 (0.58) RAB9AHDAC1LOXLOXL2PRSS12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7230020-B2 11β-hydroxysteroid dehydrogenase inhibitors STERIX LIMITED (GB) 2007-06-12 US disclosed
US-7230020-B2 11β-hydroxysteroid dehydrogenase inhibitors STERIX LIMITED (GB) 2007-06-12 US disclosed
US-7230020-B2 11β-hydroxysteroid dehydrogenase inhibitors STERIX LIMITED (GB) 2007-06-12 US disclosed
EP-1675844-A1 PHENYL CARBOXAMIDE AND SULFONAMIDE DERIVATIVES FOR USE AS 11-BETA-HYDROXYSTEROID DEHYDROGENASE Sterix Limited (GB) 2006-07-05 EP disclosed
US-20050227987-A1 11beta-hydroxysteroid dehydrogenase inhibitors STERIX LIMITED (GB) 2005-10-13 US disclosed
WO-2005042513-A1 PHENYL CARBOXAMIDE AND SULFONAMIDE DERIVATIVES FOR USE AS 11-BETA-HYDROXYSTEROID DEHYDROGENASE STERIX LIMITED (GB) 2005-05-12 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-20050227987-A1 11beta-hydroxysteroid dehydrogenase inhibitors HSD3B1, HSD3B2, HSD17B3 KMT2A 1973/4885CYP1A2 105/4885CYP3A4 146/4885

“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.