SCHEMBL9944104

SCHEMBL9944104

Cc1c(Cl)cc(C(=O)Nc2ccc(C(=O)O)c(O)c2)cc1OC(C)C

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.54
KMT2A Q03164 1/20 0.54
PYGL P06737 2/20 0.46
RORC P51449 1/20 0.46
MMP2 P08253 1/20 0.46
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
MAPT P10636 3/20 0.45
SIRT6 Q8N6T7 1/20 0.45
ALOX12 P18054 2/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPK1 P28482 2/20 0.43
KDM4E B2RXH2 1/20 0.43
HSD11B1 P28845 1/20 0.43
KCNK3 O14649 1/20 0.42
KCNK9 Q9NPC2 1/20 0.42
PLAU P00749 1/20 0.41
CYP2C9 P11712 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL1458174 0.90 KMT2A (0.53) PKMKMT2APYGLRORCMMP2
SCHEMBL9944102 0.90 NPC1 (0.48) PKMKMT2ARORCNPC1RAB9A
SCHEMBL9944089 0.88 PKM (0.65) PKMKMT2APYGLNPC1RAB9A
SCHEMBL9944105 0.88 RARA (0.47) RORCNPC1RAB9AMAPTALOX12
SCHEMBL1457823 0.85 KMT2A (0.55) PKMKMT2APYGLMMP2NPC1
SCHEMBL1458629 0.85 PKM (0.58) PKMKMT2APYGLMMP2NPC1
SCHEMBL9944098 0.84 PKM (0.60) PKMKMT2APYGLNPC1RAB9A
SCHEMBL9944103 0.84 MAPT (0.50) PKMKMT2ARORCNPC1RAB9A
SCHEMBL9944109 0.82 KMT2A (0.47) PKMKMT2APYGLMMP2NPC1
SCHEMBL1458469 0.82 NPC1 (0.47) PKMKMT2ARORCNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9447028-B2 Therapeutic aryl-amido-aryl compounds and their use KING'S COLLEGE LONDON (GB) 2016-09-20 US disclosed
US-20160039747-A1 Therapeutic Aryl-Amido-Aryl Compounds and Their Use KING'S COLLEGE LONDON (GB) 2016-02-11 US disclosed
US-20120149737-A1 Therapeutic Aryl-Amido-Aryl Compounds and Their Use KING'S COLLEGE LONDON (GB) 2012-06-14 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 (2 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-20120149737-A1 Therapeutic Aryl-Amido-Aryl Compounds and Their Use RARA, RARB, RARG PKM 4030/4885KMT2A 1418/4885PYGL 4852/4885
US-20160039747-A1 Therapeutic Aryl-Amido-Aryl Compounds and Their Use RARA, RARB, RARG PKM 4030/4885KMT2A 1418/4885PYGL 4852/4885

“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.