SCHEMBL3711076

SCHEMBL3711076

Cc1noc(-c2cccc(Br)c2)c1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRNP P04156 1/20 0.45
PPARG P37231 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
NR2E3 Q9Y5X4 1/20 0.45
NCOR2 Q9Y618 1/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
KMT2A Q03164 1/20 0.44
IP6K1 Q92551 2/20 0.43
IP6K3 Q96PC2 2/20 0.43
IP6K2 Q9UHH9 2/20 0.43
ALDH1A1 P00352 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
MAPT P10636 2/20 0.41
ALOX5 P09917 2/20 0.40
POLB P06746 1/20 0.40
MAPK1 P28482 1/20 0.40
NR1I2 O75469 1/20 0.40
PTGS1 P23219 1/20 0.40
DUSP3 P51452 1/20 0.39

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
SCHEMBL4032450 0.85 IP6K1 (0.58) NPC1RAB9AKMT2AIP6K1IP6K3
SCHEMBL3709582 0.85 HTT (0.54) RAB9AALDH1A1SMN1; SMN2MAPTALOX5
SCHEMBL3707828 0.83 POLB (0.43) PRNPPPARGRXFP1NR2E3NCOR2
SCHEMBL928538 0.83 PTGS1 (0.54) KMT2AIP6K1IP6K3IP6K2ALDH1A1
SCHEMBL4339483 0.83 NR4A1 (0.44) NCOR2IP6K1IP6K3IP6K2ALDH1A1
SCHEMBL6166566 0.83 ALDH1A1 (0.59) PRNPNPC1RAB9AKMT2AALDH1A1
SCHEMBL1563 0.82 PTPN1 (0.47) PRNPPPARGRXFP1NR2E3NCOR2
Hydrochloric Acid SCHEMBL19119250 0.82 PTGS1 (0.53) KMT2AIP6K1IP6K3IP6K2ALDH1A1
SCHEMBL4333981 0.81 ALDH1A1 (0.58) NPC1RAB9AKMT2AIP6K1IP6K3
SCHEMBL13508 0.80 PTGS1 (0.51) KMT2AIP6K1IP6K3IP6K2ALDH1A1

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
US-20110301142-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-20110301142-A1 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. 2011-12-08 US disclosed
WO-2010077882-A2 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-07-08 WO disclosed
WO-2010077882-A2 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-07-08 WO 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-20110301142-A1 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS LPAR1, LPAR2, LPAR4 PRNP 3605/4885PPARG 223/4885RXFP1 215/4885

“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.