SCHEMBL335285

SCHEMBL335285

CC(C)c1ccc(C(=O)N[C@@H](c2ccccc2Cl)[C@@H](O)C(=O)O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.46
LMNA P02545 4/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
ALDH1A1 P00352 2/20 0.45
TP53 P04637 1/20 0.45
HPGD P15428 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
RAB9A P51151 4/20 0.42
NPC1 O15118 4/20 0.42
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
GPR139 Q6DWJ6 1/20 0.41
UTS2R Q9UKP6 2/20 0.40
PRSS1 P07477 1/20 0.40
CTSG P08311 1/20 0.40

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
SCHEMBL335269 0.86 MEN1 (0.47) HDAC1LMNASMN1; SMN2ALDH1A1TP53
SCHEMBL4114108 0.79 CXCL8 (0.41) RAB9ANPC1
SCHEMBL336018 0.76 KDM4E (0.50) LMNASMN1; SMN2ALDH1A1HPGDMEN1
SCHEMBL7440689 0.75 NPC1 (0.47) HDAC1LMNASMN1; SMN2ALDH1A1KMT2A
SCHEMBL14119283 0.73 RAB9A (0.54) SMN1; SMN2TP53HPGDMEN1KMT2A
SCHEMBL8108955 0.73 LMNA (0.67) HDAC1LMNASMN1; SMN2ALDH1A1TP53
SCHEMBL530337 0.73 LMNA (0.67) HDAC1LMNASMN1; SMN2ALDH1A1TP53
SCHEMBL6277 0.73 LMNA (0.67) HDAC1LMNASMN1; SMN2ALDH1A1TP53
SCHEMBL1271236 0.73 LMNA (0.67) HDAC1LMNASMN1; SMN2ALDH1A1TP53
SCHEMBL4164616 0.73 LMNA (0.67) HDAC1LMNASMN1; SMN2ALDH1A1TP53

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
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

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 HDAC1 1953/4885LMNA 2062/4885SMN1; SMN2 4382/4885

“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.