SCHEMBL7196880

SCHEMBL7196880

COc1ccc2c(c1)c(CCCC(=O)O)c(C)n2Cc1ccc(Br)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.79
PLA2G2A P14555 5/20 0.66
LMNA P02545 2/20 0.64
CYP1A2 P05177 2/20 0.64
CYP3A4 P08684 2/20 0.64
CYP2C9 P11712 2/20 0.64
TSHR P16473 2/20 0.64
CYP2C19 P33261 2/20 0.64
PMP22 Q01453 2/20 0.64
MEN1 O00255 1/20 0.64
RGS12 O14924 1/20 0.64
ALDH1A1 P00352 1/20 0.64
MAPT P10636 1/20 0.64
PKM P14618 1/20 0.64
NFKB1 P19838 1/20 0.64
MAPK1 P28482 1/20 0.64
GNAI1 P63096 1/20 0.64
KMT2A Q03164 1/20 0.64
HIF1A Q16665 1/20 0.64
PLA2G1B P04054 1/20 0.64

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
SCHEMBL3246589 0.95 PTGS2 (0.80) PTGS2PLA2G2ALMNACYP1A2CYP3A4
SCHEMBL8876895 0.92 PLA2G2A (0.76) PTGS2PLA2G2ALMNACYP1A2CYP3A4
SCHEMBL8876346 0.91 PTGS2 (0.71) PTGS2PLA2G2ALMNACYP1A2CYP3A4
SCHEMBL8877434 0.89 PLA2G2A (0.62) PTGS2PLA2G2A
SCHEMBL8875901 0.89 PTGS2 (0.68) PTGS2PLA2G2ALMNACYP1A2CYP3A4
SCHEMBL8877291 0.89 PTGS2 (0.68) PTGS2PLA2G2ALMNACYP1A2CYP3A4
SCHEMBL8877276 0.89 PLA2G2A (0.74) PTGS2PLA2G2ALMNACYP1A2CYP3A4
SCHEMBL8607505 0.88 PTGS2 (1.00) PTGS2PLA2G2ALMNACYP1A2CYP3A4
SCHEMBL3239984 0.88 PTGS2 (0.72) PTGS2PLA2G2ALMNACYP1A2CYP3A4
SCHEMBL8876622 0.87 PLA2G2A (0.60) PTGS2PLA2G2ALMNAKMT2A

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-20030225054-A1 Combined use of tace inhibitors and COX2 inhibitors as anti-inflammatory agents BRISTOL-MYERS SQUIBB COMPANY 2003-12-04 US claimed
WO-1996037467-A1 N-BENZYLINDOL-3-YL BUTANOIC ACID DERIVATIVES AS CYCLOOXYGENASE-2 INHIBITORS MERCK FROSST CANADA INC. (CA) 1996-11-28 WO claimed
US-20030225054-A1 Combined use of tace inhibitors and COX2 inhibitors as anti-inflammatory agents BRISTOL-MYERS SQUIBB COMPANY 2003-12-04 US disclosed
US-5639780-A NON-STEROIDAL ANTIINFLAMMATORY AGENTS MERCK FROSST CANADA, INC. (CA) 1997-06-17 US disclosed
WO-1996037467-A1 N-BENZYLINDOL-3-YL BUTANOIC ACID DERIVATIVES AS CYCLOOXYGENASE-2 INHIBITORS MERCK FROSST CANADA INC. (CA) 1996-11-28 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-20030225054-A1 Combined use of tace inhibitors and COX2 inhibitors as anti-inflammatory agents TNF, PTGS1, MIF PTGS2 4/4885PLA2G2A 2296/4885LMNA 3576/4885

“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.