SCHEMBL335702

SCHEMBL335702

CCn1c(C)c(C)c2cc(C(=O)O)ccc21

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.63
KMT2A Q03164 6/20 0.60
MEN1 O00255 4/20 0.60
MAPT P10636 6/20 0.59
TP53 P04637 2/20 0.59
ALDH1A1 P00352 3/20 0.57
HPGD P15428 3/20 0.57
KDM4E B2RXH2 2/20 0.57
CYP1A2 P05177 1/20 0.57
CYP2C19 P33261 1/20 0.57
HTT P42858 1/20 0.57
RECQL P46063 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
PPARG P37231 1/20 0.56
RORC P51449 1/20 0.55
PKM P14618 1/20 0.54
TSHR P16473 1/20 0.53
HSD17B10 Q99714 1/20 0.53

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
SCHEMBL18966441 0.88 HPGD (0.66) RAB9AKMT2AMEN1MAPTTP53
SCHEMBL29629313 0.85 HPGD (0.65) RAB9AKMT2AMEN1MAPTALDH1A1
SCHEMBL29629312 0.85 HPGD (0.65) RAB9AKMT2AMEN1MAPTALDH1A1
SCHEMBL8922345 0.85 HPGD (0.65) RAB9AKMT2AMEN1MAPTALDH1A1
Hydrochloric Acid SCHEMBL8920877 0.83 HPGD (0.63) RAB9AKMT2AMEN1MAPTALDH1A1
SCHEMBL27734727 0.82 PPARG (0.74) KMT2AMEN1MAPTTP53ALDH1A1
SCHEMBL28092003 0.81 PPARG (0.54) RAB9AKMT2AMEN1MAPTALDH1A1
SCHEMBL28267725 0.81 KDM4E (0.63) RAB9AKMT2AMEN1MAPTALDH1A1
SCHEMBL9747639 0.79 PTGER4 (0.59) KMT2AALDH1A1HPGDKDM4EHTT
SCHEMBL24479763 0.79 THRB (0.63) KMT2AMEN1MAPTPPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2069289-B1 ISOSERINE DERIVATIVES FOR USE AS COAGULATION FACTOR IXa INHIBITORS SANOFI SA (FR) 2013-10-02 EP claimed
US-20090233949-A1 ISOSERINE DERIVATIVES FOR USE AS COAGULATION FACTOR IXA INHIBITORS SANOFI-AVENTIS (FR) 2009-09-17 US claimed
US-8097758-B2 Isoserine derivatives for use as coagulation factor IXa inhibitors SANOFI-AVENTIS (FR) 2012-01-17 US disclosed
US-20090233949-A1 ISOSERINE DERIVATIVES FOR USE AS COAGULATION FACTOR IXA INHIBITORS SANOFI-AVENTIS (FR) 2009-09-17 US disclosed
CN-101516834-A Isoserine derivatives for use as coagulation factor ixa inhibitors SANOFI AVENTIS (FR) 2009-08-26 CN 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-20090233949-A1 ISOSERINE DERIVATIVES FOR USE AS COAGULATION FACTOR IXA INHIBITORS TFPI, F2, F9 RAB9A 1502/4885KMT2A 3783/4885MEN1 2521/4885

“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.