SCHEMBL1371390

SCHEMBL1371390

O=S(=O)(CCc1cccc(Br)c1)CCc1cccc(Br)c1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 3/20 0.57
▸ IDO1 P14902 2/20 0.46
▸ AGXT P21549 2/20 0.46
▸ EGFR P00533 2/20 0.43
▸ ERBB2 P04626 2/20 0.43
▸ CA2 P00918 2/20 0.43
▸ MAOB P27338 1/20 0.43
▸ GPR84 Q9NQS5 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ CA12 O43570 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA9 Q16790 1/20 0.40

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
SCHEMBL12493473 0.85 TAAR1 (0.58) TAAR1IDO1AGXTEGFRERBB2
SCHEMBL23703162 0.85 TAAR1 (0.53) TAAR1IDO1AGXTEGFRERBB2
SCHEMBL4871516 0.85 TAAR1 (0.53) TAAR1IDO1AGXTEGFRERBB2
SCHEMBL23733099 0.82 TAAR1 (0.50) TAAR1IDO1AGXTEGFRERBB2
SCHEMBL23732878 0.80 TAAR1 (0.57) TAAR1IDO1AGXTEGFRERBB2
SCHEMBL30137214 0.80 TAAR1 (0.57) TAAR1IDO1AGXTEGFRERBB2
SCHEMBL4399626 0.80 TAAR1 (0.74) TAAR1IDO1AGXTMAOBSMN1; SMN2
SCHEMBL1368311 0.79 TAAR1 (0.50) TAAR1IDO1AGXTEGFRERBB2
SCHEMBL30019965 0.79 TAAR1 (0.50) TAAR1IDO1AGXTEGFRERBB2
SCHEMBL28327836 0.78 TAAR1 (0.50) TAAR1IDO1AGXTEGFRERBB2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8273769-B2 Phenoxy acetic acid derivatives MERCK SERONO SA (CH) 2012-09-25 — — US disclosed
EP-2396295-A1 PHENOXY ACETIC ACID DERIVATIVES Merck Serono S.A. (CH) 2011-12-21 — — EP disclosed
US-20110288066-A1 PHENOXY ACETIC ACID DERIVATIVES MERCK SERONO S.A. (CH) 2011-11-24 — — US disclosed
WO-2010092043-A1 PHENOXY ACETIC ACID DERIVATIVES MERCK SERONO S.A. (CH) 2010-08-19 — — 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-20110288066-A1 PHENOXY ACETIC ACID DERIVATIVES HRH2, HRH1, HRH3 TAAR1 435/4885IDO1 2106/4885AGXT 498/4885

“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.

Send feedback