SCHEMBL710799

SCHEMBL710799

CCS(=O)(=O)c1ccc(CCl)cc1

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PSIP1 O75475 2/20 0.63
▸ GAA P10253 1/20 0.54
▸ CA2 P00918 6/20 0.43
▸ CA1 P00915 2/20 0.43
▸ RORC P51449 7/20 0.41
▸ ALDH1A1 P00352 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL1595559 0.84 CA2 (0.45) PSIP1GAACA2CA1ALDH1A1
SCHEMBL10455034 0.83 PSIP1 (0.74) PSIP1GAACA2ALDH1A1CYP3A4
SCHEMBL9908320 0.81 PSIP1 (0.68) PSIP1GAACA2RORCALDH1A1
SCHEMBL1596533 0.80 CA2 (0.42) PSIP1GAACA2CA1ALDH1A1
SCHEMBL1596885 0.80 CA2 (0.42) PSIP1GAACA2CA1ALDH1A1
SCHEMBL17048423 0.79 PSIP1 (0.41) PSIP1GAACA2CA1ALDH1A1
SCHEMBL398570 0.79 ENPP2 (0.50) CA2CA1CYP3A4CYP2C9
SCHEMBL20323436 0.78 CA2 (0.41) PSIP1GAACA2CA1RORC
SCHEMBL3539406 0.78 CYP3A4 (0.52) GAACA2CA1ALDH1A1CYP3A4
SCHEMBL10182183 0.77 CA2 (0.67) PSIP1GAACA2RORCALDH1A1

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8124629-B2 Naphthylacetic acids HOFFMANN-LA ROCHE INC. (US) 2012-02-28 — — US disclosed
US-8124629-B2 Naphthylacetic acids HOFFMANN-LA ROCHE INC. (US) 2012-02-28 — — US disclosed
US-8124629-B2 Naphthylacetic acids HOFFMANN-LA ROCHE INC. (US) 2012-02-28 — — US disclosed
CN-102216249-A Naphthylacetic acids HOFFMANN LA ROCHE 2011-10-12 — — CN disclosed
EP-2346807-A1 NAPHTHYLACETIC ACIDS F. Hoffmann-La Roche AG (CH) 2011-07-27 — — EP disclosed
US-20100137250-A1 NAPHTHYLACETIC ACIDS FIROOZNIA FARIBORZ 2010-06-03 — — US disclosed
US-20100137250-A1 NAPHTHYLACETIC ACIDS FIROOZNIA FARIBORZ 2010-06-03 — — US disclosed
US-20100137250-A1 NAPHTHYLACETIC ACIDS FIROOZNIA FARIBORZ 2010-06-03 — — US disclosed
WO-2010055005-A1 NAPHTHYLACETIC ACIDS F. HOFFMANN-LA ROCHE AG (CH) 2010-05-20 — — WO disclosed
WO-2010055005-A1 NAPHTHYLACETIC ACIDS F. HOFFMANN-LA ROCHE AG (CH) 2010-05-20 — — WO disclosed
EP-1891068-A1 TRIAZOLOPYRIDINE DERIVATIVES AS CANNABINOID RECEPTOR 1 ANTAGONISTS Bristol-Myers Squibb Company (US) 2008-02-27 — — EP disclosed
US-20070004772-A1 Triazolopyridine cannabinoid receptor 1 antagonists BRISTOL-MYERS SQUIBB COMPANY 2007-01-04 — — US disclosed
US-20070004772-A1 Triazolopyridine cannabinoid receptor 1 antagonists BRISTOL-MYERS SQUIBB COMPANY 2007-01-04 — — US disclosed
US-20070004772-A1 Triazolopyridine cannabinoid receptor 1 antagonists BRISTOL-MYERS SQUIBB COMPANY 2007-01-04 — — US disclosed
WO-2006138734-A1 TRIAZOLOPYRIMIDINE CANNABINOID RECEPTOR 1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-12-28 — — WO disclosed
WO-2006138695-A1 TRIAZOLOPYRIDINE DERIVATIVES AS CANNABINOID RECEPTOR 1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-12-28 — — WO disclosed
US-20060287341-A1 Triazolopyrimidine cannabinoid receptor 1 antagonists BRISTOL-MYERS SQUIBB COMPANY 2006-12-21 — — US disclosed
EP-0937081-A1 NITROGEN SUBSTITUTED IMIDAZO 4,5-c]PYRAZOLES AS CORTICOTROPIN RELEASING HORMONE ANTAGONISTS Du Pont Pharmaceuticals Company (US) 1999-08-25 — — EP disclosed
US-5932554-A PREVENT BINDING OF TOXINS TO RECEPTORS SYNSORB BIOTECH, INC. (CA) 1999-08-03 — — US disclosed
WO-1999010350-A1 NITROGEN SUBSTITUTED IMIDAZO[4,5-c]PYRAZOLES AS CORTICOTROPIN RELEASING HORMONE ANTAGONISTS DU PONT PHARMACEUTICALS COMPANY (US) 1999-03-04 — — 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-20060287341-A1 Triazolopyrimidine cannabinoid receptor 1 antagonists CNR1, CNR2, GPR68 PSIP1 964/4885GAA 3979/4885CA2 2182/4885
US-20100137250-A1 NAPHTHYLACETIC ACIDS HRH2, HRH1, HRH3 PSIP1 4453/4885GAA 678/4885CA2 912/4885
US-20070004772-A1 Triazolopyridine cannabinoid receptor 1 antagonists CNR1, CNR2, TRPV1 PSIP1 1766/4885GAA 3603/4885CA2 2069/4885

“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.

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