SCHEMBL7210487

SCHEMBL7210487

Cc1cc(C#N)ccc1OS(C)(=O)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.43
AR P10275 4/20 0.42
TRPV4 Q9HBA0 1/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
ALPL P05186 2/20 0.39
CYP1A2 P05177 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
EPAS1 Q99814 2/20 0.39
TBXA2R P21731 3/20 0.38
ESRRA P11474 1/20 0.38
LRRK2 Q5S007 1/20 0.37
SSTR4 P31391 1/20 0.37
ALDH1A1 P00352 1/20 0.36
CYP2A6 P11509 1/20 0.36
KDM4E B2RXH2 1/20 0.36
KMT2A Q03164 1/20 0.36
STS P08842 1/20 0.36

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
SCHEMBL16179448 0.81 MRGPRX4 (0.42) MRGPRX4ARTRPV4EPAS1TBXA2R
SCHEMBL27804618 0.80 ALDH1A1 (0.45) ARCYP1A2EPAS1TBXA2RALDH1A1
SCHEMBL12129703 0.77 ALPL (0.38) TRPV4CA1CA2CA9ALPL
SCHEMBL931494 0.76 AR (0.60) MRGPRX4ARESRRALRRK2ALDH1A1
SCHEMBL3859664 0.76 TSHR (0.44) CA1CA2CA9ALPLCYP1A2
SCHEMBL6937925 0.76 CA1 (0.55) CA1CA2CA9ALPLCYP1A2
SCHEMBL20129681 0.74 MRGPRX4 (0.44) MRGPRX4ARTRPV4CA1CA2
SCHEMBL1277294 0.73 AR (0.45) MRGPRX4ARTRPV4ESRRALRRK2
SCHEMBL13342828 0.73 TSHR (0.47) TRPV4ALPLCYP1A2TSHRHSD17B10
SCHEMBL11576553 0.73 CYP1A2 (0.42) CA1CA2CA9ALPLCYP1A2

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
CN-100379722-C Compounds ASTRA ZENECA LTD (SE) 2008-04-09 CN disclosed
EP-1036061-B1 NEW COMPOUNDS ASTRAZENECA AB (SE) 2003-09-24 EP disclosed
US-6337394-B2 N-ACYL-HETEROCYCLE-CARBOXYAMIDES THAT ARE N-SUBSTITUTED WITH AMIDINO-SUBSTITUTED RINGS; COMPETITIVE INHIBITORS OF THROMBIN; ANTICOAGULANTS ASTRAZENECA AB (SE) 2002-01-08 US disclosed
US-20010046981-A1 COMPOUNDS ASTRA AKTIEBOLAG (SE) 2001-11-29 US disclosed
CN-1284063-A Compounds ASTRA ZENECA LTD (SE) 2001-02-14 CN disclosed
EP-1036061-A1 NEW COMPOUNDS AstraZeneca AB (SE) 2000-09-20 EP disclosed
WO-1999029664-A1 NEW COMPOUNDS ASTRAZENECA AB (SE) 1999-06-17 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-20010046981-A1 COMPOUNDS F2, SERPINC1, SERPINB1 MRGPRX4 931/4885AR 3242/4885TRPV4 4329/4885

“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.