SCHEMBL5487052

SCHEMBL5487052

Fc1cc(F)cc(CBr)c1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.46
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA9 Q16790 1/20 0.38
TRPA1 O75762 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
DAO P14920 2/20 0.33
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
DBH P09172 1/20 0.33
TAAR1 Q96RJ0 1/20 0.31
AGXT P21549 1/20 0.30

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
SCHEMBL120092 1.00 IDO1 (0.46) IDO1CA12CA1CA9TRPA1
SCHEMBL5733912 1.00 IDO1 (0.46) IDO1CA12CA1CA9TRPA1
SCHEMBL11029571 0.97 IDO1 (0.44) IDO1CA12CA1CA9TRPA1
Pentane SCHEMBL28136158 0.85 IDO1 (0.37) IDO1TSHR
SCHEMBL29472374 0.84 IDO1 (0.34) IDO1TRPA1ALDH1A1TSHR
SCHEMBL671058 0.84 IDO1 (0.34) IDO1TRPA1ALDH1A1TSHR
SCHEMBL25077209 0.82 IDO1 (0.38) IDO1TAAR1
SCHEMBL2924850 0.82 ACHE (0.36) IDO1
SCHEMBL857310 0.82 DAO (0.37) IDO1TSHRDAO
SCHEMBL20503990 0.82 IDO1 (0.33) IDO1

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-20070105921-A1 Process for Preparing Oxazole Intermediates PHARMACIA & UPJOHN COMPANY 2007-05-10 US disclosed
US-7115747-B2 Process for preparing oxazole intermediates PHARMACIA & UPJOHN COMPANY (US) 2006-10-03 US disclosed
EP-1532123-A1 PROCESS FOR PREPARING 5-(1, 3-OXAZOL-2-YL) BENZOIC ACID DERIVATIVES Pharmacia & Upjohn Company LLC (US) 2005-05-25 EP disclosed
US-20040063965-A1 Process for preparing oxazole intermediates PHARMACEIA & UPJOHN 2004-04-01 US disclosed
WO-2004000821-A1 PROCESS FOR PREPARING 5-(1, 3-OXAZOL-2-YL) BENZOIC ACID DERIVATIVES PHARMACIA & UPJOHN COMPANY (US) 2003-12-31 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 (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-20040063965-A1 Process for preparing oxazole intermediates PSEN1, SOD1, OXA1L IDO1 1076/4885CA12 1968/4885CA1 126/4885
US-20070105921-A1 Process for Preparing Oxazole Intermediates OXA1L, SOD1, PSEN1 IDO1 1363/4885CA12 2238/4885CA1 218/4885

“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.