SCHEMBL4318211

SCHEMBL4318211

CCc1c(Cl)ccc(NC(C)=O)c1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
PKM P14618 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
PGK1 P00558 1/20 0.38
MAPK1 P28482 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
TSHR P16473 1/20 0.37
RORC P51449 1/20 0.37

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
SCHEMBL15000245 0.87 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2PKMMEN1KMT2A
SCHEMBL14999988 0.82 PKM (0.39) ALDH1A1SMN1; SMN2PKMMEN1KMT2A
SCHEMBL18755297 0.80 ALDH1A1 (0.46) ALDH1A1MEN1KMT2ACA1CA2
SCHEMBL15000150 0.79 MEN1 (0.41) ALDH1A1SMN1; SMN2PKMMEN1KMT2A
SCHEMBL4310399 0.77 ALDH1A1 (0.44) ALDH1A1PKMMEN1KMT2ACA1
SCHEMBL29683246 0.77 ALDH1A1 (0.44) ALDH1A1PKMMEN1KMT2ACA1
SCHEMBL9608995 0.77 PKM (0.57) ALDH1A1SMN1; SMN2PKMMEN1KMT2A
SCHEMBL17553923 0.76 CDC7 (0.43) ALDH1A1SMN1; SMN2PKMKDM4EPOLB
SCHEMBL15390563 0.75 KDM4E (0.36) ALDH1A1MEN1KMT2AKDM4ENPC1
SCHEMBL15594109 0.75 ALDH1A1 (0.45) ALDH1A1MEN1KMT2ACA1CA2

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-20140058129-A1 Phenylacetic Acid Derivatives NOVARTIS AG (CH) 2014-02-27 US disclosed
US-8586782-B2 Phenylacetic acid derivatives NOVARTIS AG (CH) 2013-11-19 US disclosed
US-8362294-B2 Phenylacetic acid derivatives NOVARTIS AG (CH) 2013-01-29 US disclosed
US-20130012585-A1 Phenylacetic Acid Derivatives MONOVICH LAUREN G (US) 2013-01-10 US disclosed
EP-2046723-B1 PHENYLACETIC ACID DERIVATIVES AS COX-2 INHIBITORS NOVARTIS AG (CH) 2012-07-18 EP disclosed
US-20090209648-A1 Phenylacetic Acid Derivatives NOVARTIS AG (CH) 2009-08-20 US disclosed
CN-101479231-A Phenylacetic acid derivatives as COX-2 inhibitors NOVARTIS AG (CH) 2009-07-08 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 (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-20140058129-A1 Phenylacetic Acid Derivatives PTGES2, PTGS2, GOT2 ALDH1A1 37/4885SMN1; SMN2 2225/4885PKM 573/4885
US-20130012585-A1 Phenylacetic Acid Derivatives PTGES2, PTGS2, GOT2 ALDH1A1 37/4885SMN1; SMN2 2225/4885PKM 573/4885
US-20090209648-A1 Phenylacetic Acid Derivatives PTGES2, PTGS2, PTGER2 ALDH1A1 36/4885SMN1; SMN2 2184/4885PKM 565/4885

“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.