SCHEMBL5099569

SCHEMBL5099569

Cc1ccc(C(=O)O)c(-c2cccc(Cl)c2)n1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 1/20 0.50
SORT1 Q99523 1/20 0.50
DCLRE1B Q9H816 1/20 0.49
PTGER4 P35408 1/20 0.47
DHODH Q02127 1/20 0.47
GRM5 P41594 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KMO O15229 2/20 0.46
MDM2 Q00987 2/20 0.45
ACLY P53396 1/20 0.44
THRB P10828 1/20 0.44
KMT2A Q03164 1/20 0.44
PTGS1 P23219 1/20 0.43
PTGS2 P35354 1/20 0.43
NOTUM Q6P988 1/20 0.43

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
SCHEMBL5532405 0.82 ALDH1A1 (0.54) DHODHKMT2A
SCHEMBL1969326 0.80 DHODH (0.51) PIN1DCLRE1BPTGER4DHODHNPC1
SCHEMBL9355817 0.77 GABRP (0.48) SORT1ACLYKMT2APTGS1
SCHEMBL10024224 0.75 DCLRE1B (0.61) PIN1DCLRE1BPTGER4GRM5ACLY
SCHEMBL5092896 0.75 PTGS1 (0.41) PIN1GRM5MDM2PTGS1PTGS2
SCHEMBL8946347 0.74 MEN1 (0.64) NPC1RAB9AL3MBTL1KMOKMT2A
SCHEMBL14152580 0.73 CNR2 (0.61) PIN1PTGER4DHODHKMOMDM2
SCHEMBL8946514 0.73 KMT2A (0.54) SORT1DHODHKMT2A
SCHEMBL25510516 0.73 KDM5B (0.42) GRM5PTGS1PTGS2
SCHEMBL3787844 0.73 PDE4B (0.59) NPC1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7323570-B2 Farnesyltransferase inhibitors ABBOTT LABORATORIES (US) 2008-01-29 US disclosed
US-7211595-B2 Farnesyltransferase inhibitors ABBOTT LABORATORIES (US) 2007-05-01 US disclosed
US-20060264476-A1 Farnesyltransferase Inhibitors ABBVIE INC. 2006-11-23 US disclosed
EP-1339695-B1 FARNESYLTRANSFERASE INHIBITORS ABBOTT LAB (US) 2006-04-19 EP disclosed
CN-1487924-A Farnesyl transferase inhibitors ���Ͽع����޹�˾ 2004-04-07 CN disclosed
US-20030087940-A1 Farnesyltransferase inhibitors ABBVIE INC. 2003-05-08 US disclosed
US-20020115640-A1 Such as 4-(((6-chloro-2-(3-chlorophenyl)-3-pyridinyl) methoxy)(1-methyl-1H-imidazol-5-yl)methyl)benzonitrile; anticancer agents ABBOTT LABORATORIES 2002-08-22 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 (3 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-20020115640-A1 Such as 4-(((6-chloro-2-(3-chlorophenyl)-3-pyridinyl) methoxy)(1-methyl-1H-imidazol-5-yl)methyl)benzonitrile; anticancer agents FNTB, FNTA, ACAT2 PIN1 1829/4885SORT1 4594/4885DCLRE1B 688/4885
US-20060264476-A1 Farnesyltransferase Inhibitors FNTB, FNTA, FDPS PIN1 1042/4885SORT1 4567/4885DCLRE1B 407/4885
US-20030087940-A1 Farnesyltransferase inhibitors FNTB, FNTA, FDPS PIN1 1214/4885SORT1 4529/4885DCLRE1B 447/4885

“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.