Sugi Predict

Sugi Predict / Compounds / SCHEMBL2839712

SCHEMBL2839712

SCHEMBL2839712

Cc1noc(-c2ccc(Br)cc2)c1[C@@H](Cc1cccc(O)c1)NC(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 5/20 0.38
▸ SMN1; SMN2 Q16637 5/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ LMNA P02545 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ NPC1 O15118 4/20 0.37
▸ HTT P42858 1/20 0.37
▸ LPAR1 Q92633 3/20 0.37
▸ MLLT1 Q03111 1/20 0.36
▸ LPAR3 Q9UBY5 2/20 0.36
▸ TSHR P16473 1/20 0.35
▸ LPAR2 Q9HBW0 1/20 0.35
▸ PTPN1 P18031 1/20 0.34
▸ MAPT P10636 2/20 0.34
▸ GRIA2 P42262 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ DUSP3 P51452 1/20 0.34
▸ BRD4 O60885 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ NLRP3 Q96P20 1/20 0.34

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
SCHEMBL2762285 0.91 SMN1; SMN2 (0.39) RAB9ASMN1; SMN2ALDH1A1LMNAL3MBTL1
SCHEMBL2836880 0.90 RAB9A (0.42) RAB9ASMN1; SMN2ALDH1A1LMNAL3MBTL1
SCHEMBL2761302 0.90 RAB9A (0.42) RAB9ASMN1; SMN2ALDH1A1LMNAL3MBTL1
SCHEMBL2762295 0.87 FPR2 (0.40) RAB9ASMN1; SMN2ALDH1A1LMNANPC1
SCHEMBL2761216 0.87 CSGALNACT1 (0.39) LMNAMAPTBRD4
SCHEMBL2762232 0.84 MEN1 (0.40) RAB9ASMN1; SMN2ALDH1A1NPC1HTT
SCHEMBL2761549 0.84 TSHR (0.41) RAB9ANPC1LPAR1LPAR3TSHR
SCHEMBL2762258 0.81 TPH1 (0.44) RAB9ASMN1; SMN2ALDH1A1LMNAL3MBTL1
SCHEMBL2762863 0.81 ALDH1A1 (0.40) RAB9ASMN1; SMN2ALDH1A1LMNAL3MBTL1
SCHEMBL2762470 0.80 TRPA1 (0.43) RAB9ASMN1; SMN2ALDH1A1NPC1HTT

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-2358688-B1 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS INC (US) 2014-03-12 — — EP disclosed
US-8440707-B2 Antagonists of lysophosphatidic acid receptors AMIRA PHARMACEUTICALS, INC. (US) 2013-05-14 — — US disclosed
US-20110301211-A1 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. 2011-12-08 — — US disclosed
US-20110301142-A1 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. 2011-12-08 — — US disclosed
US-20100152257-A1 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-06-17 — — 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 (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-20100152257-A1 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS LPAR1, LPAR2, LPAR4 RAB9A 2221/4885SMN1; SMN2 3849/4885ALDH1A1 3791/4885
US-20110301211-A1 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS LPAR1, LPAR2, LPAR4 RAB9A 2221/4885SMN1; SMN2 3849/4885ALDH1A1 3791/4885
US-20110301142-A1 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS LPAR1, LPAR2, LPAR4 RAB9A 2221/4885SMN1; SMN2 3849/4885ALDH1A1 3791/4885

“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.