SCHEMBL17441666

SCHEMBL17441666

NS(=O)(=O)c1ccc(Cl)c2ccccc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LDHA P00338 1/20 0.62
▸ CYP1A2 P05177 3/20 0.54
▸ CYP2A6 P11509 2/20 0.54
▸ CA2 P00918 4/20 0.53
▸ CA1 P00915 3/20 0.53
▸ CA9 Q16790 2/20 0.53
▸ CDK2 P24941 1/20 0.52
▸ POLB P06746 1/20 0.51
▸ KMT2A Q03164 2/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ RXFP1 Q9HBX9 1/20 0.49
▸ ATM Q13315 1/20 0.46
▸ FABP4 P15090 1/20 0.44
▸ CYP2C9 P11712 3/20 0.44
▸ CYP3A4 P08684 2/20 0.44
▸ HSD17B10 Q99714 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ FPR2 P25090 1/20 0.44

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
SCHEMBL2230689 0.88 CDK2 (0.62) LDHACYP1A2CYP2A6CA2CA1
Hydrochloric Acid SCHEMBL28784525 0.86 CDK2 (0.60) LDHACYP1A2CYP2A6CA2CA1
SCHEMBL10925668 0.83 CYP1A2 (0.59) LDHACYP1A2CYP2A6POLBKMT2A
SCHEMBL639819 0.81 CYP1A2 (0.56) LDHACYP1A2CYP2A6POLBKMT2A
SCHEMBL15461585 0.79 POLB (0.56) LDHACYP1A2CYP2A6POLBKMT2A
SCHEMBL3182766 0.79 CYP1A2 (0.54) LDHACYP1A2CYP2A6POLBKMT2A
SCHEMBL1808975 0.77 CDK2 (0.55) LDHACYP1A2CA2CA1CA9
SCHEMBL9718261 0.77 LDHA (0.59) LDHACYP1A2CYP2A6CDK2POLB
SCHEMBL9138970 0.77 CDK2 (0.78) LDHACA2CA1CA9CDK2
SCHEMBL1805454 0.77 LDHA (0.64) LDHACA2CA1CA9CDK2

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-20170197968-A1 Compositions and Methods for Inhibiting BMP NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-07-13 — — US disclosed
US-20170197968-A1 Compositions and Methods for Inhibiting BMP NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-07-13 — — US disclosed
US-20170197968-A1 Compositions and Methods for Inhibiting BMP NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-07-13 — — US disclosed
WO-2016011019-A1 COMPOSITIONS AND METHODS FOR INHIBITING BMP THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2016-01-21 — — WO disclosed
WO-2016011019-A1 COMPOSITIONS AND METHODS FOR INHIBITING BMP THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2016-01-21 — — 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-20170197968-A1 Compositions and Methods for Inhibiting BMP BMP1, BMP2, BMPR2 LDHA 3346/4885CYP1A2 3263/4885CYP2A6 3079/4885

“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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