SCHEMBL6346258

SCHEMBL6346258

COc1ccc(Cl)cc1-c1ccc(C(=O)O)n1Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
HPGD P15428 3/20 0.52
PTGER1 P34995 2/20 0.49
TTR P02766 1/20 0.49
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA4 P22748 1/20 0.47
CA6 P23280 1/20 0.47
CA7 P43166 1/20 0.47
TPMT P51580 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
MPO P05164 1/20 0.46
TPO P07202 1/20 0.46
MRGPRX4 Q96LA9 1/20 0.44
SLC9A1 P19634 4/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
TDP1 Q9NUW8 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
SCHEMBL6344219 0.81 ALDH1A1 (0.47) ALDH1A1HPGDTTRCA12CA1
SCHEMBL2410383 0.74 ALDH1A1 (0.57) ALDH1A1HPGDPTGER1TTRCA12
SCHEMBL4341433 0.73 LMNA (0.60) ALDH1A1HPGDPTGER1TTRCA12
SCHEMBL15869827 0.73 MARS1 (0.50) ALDH1A1HPGDMPOTPOHTR2A
SCHEMBL48961 0.72 MRGPRX4 (0.64) ALDH1A1HPGDTTRCA1CA2
SCHEMBL30100412 0.72 MRGPRX4 (0.64) ALDH1A1HPGDTTRCA1CA2
SCHEMBL7699644 0.71 ALDH1A1 (0.56) ALDH1A1HPGDTDP1MEN1KMT2A
SCHEMBL30791351 0.71 MRGPRX4 (0.58) ALDH1A1HPGDTTRCA12CA1
Hydrochloric Acid SCHEMBL7210817 0.71 MRGPRX4 (0.62) ALDH1A1HPGDTTRCA1CA2
SCHEMBL2406330 0.70 PTGER1 (0.59) ALDH1A1HPGDPTGER1TTRMRGPRX4

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-20050101651-A1 Antipicornaviral compounds and compositions, their pharmaceutical uses, and materials for their synthesis JOHNSON THEODORE O JR (US) 2005-05-12 US disclosed
US-6872745-B2 Antipicornaviral compounds and compositions, their pharmaceutical uses, and materials for their synthesis AGOURON PHARMACEUTICALS, INC. (US) 2005-03-29 US disclosed
US-20030225042-A1 Antipicornaviral compounds and compositions, their uses, and materials for their synthesis JOHNSON THEODORE O (US) 2003-12-04 US disclosed
US-6610730-B2 Viricides; protease inbhibitor AGOURON PHARMACEUTICALS, INC. 2003-08-26 US disclosed
EP-1274682-A2 ANTIPICORNAVIRAL COMPOUNDS AND COMPOSITIONS, THEIR PHARMACEUTICAL USES, AND MATERIALS FOR THEIR SYNTHESIS AGOURON PHARMACEUTICALS, INC. (US) 2003-01-15 EP disclosed
US-20020006943-A1 Antipicornaviral compounds and compositions, their pharmaceutical uses, and materials for their synthesis AGOURON PHARMACEUTICALS, INC. 2002-01-17 US disclosed
WO-2001079167-A2 ANTIPICORNAVIRAL COMPOUNDS AND COMPOSITIONS, THEIR PHARMACEUTICAL USES, AND MATERIALS FOR THEIR SYNTHESIS AGOURON PHARMACEUTICALS, INC. (US) 2001-10-25 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 (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-20050101651-A1 Antipicornaviral compounds and compositions, their pharmaceutical uses, and materials for their synthesis PRCP, RNPEP, SARNP ALDH1A1 4161/4885HPGD 2825/4885PTGER1 3050/4885
US-20030225042-A1 Antipicornaviral compounds and compositions, their uses, and materials for their synthesis RNASEL, SARNP, RNASEH1 ALDH1A1 3835/4885HPGD 3379/4885PTGER1 3303/4885
US-20020006943-A1 Antipicornaviral compounds and compositions, their pharmaceutical uses, and materials for their synthesis PRCP, RNPEP, SERPINB1 ALDH1A1 3708/4885HPGD 2900/4885PTGER1 2985/4885

“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.