SCHEMBL3597587

SCHEMBL3597587

CS(=O)(=O)NCc1cccnc1

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.60
POLB P06746 1/20 0.60
CYP1A2 P05177 2/20 0.58
NAMPT P43490 1/20 0.58
CYP2D6 P10635 1/20 0.58
CYP2C19 P33261 2/20 0.56
ALDH1A1 P00352 2/20 0.55
IDO1 P14902 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2C9 P11712 1/20 0.55
PKM P14618 1/20 0.55
MAPT P10636 1/20 0.55
KMT2A Q03164 1/20 0.54

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
SCHEMBL19827722 0.85 CYP1A2 (0.62) TSHRPOLBCYP1A2CYP2D6CYP2C19
SCHEMBL6733057 0.84 TSHR (0.58) TSHRPOLBCYP1A2CYP2D6CYP2C19
SCHEMBL5652939 0.82 CYP1A2 (0.58) TSHRPOLBCYP1A2CYP2D6CYP2C19
SCHEMBL14380633 0.82 CA2 (0.61) TSHRPOLBCYP1A2CYP2D6CYP2C19
SCHEMBL12018126 0.80 POLB (0.66) POLB
SCHEMBL7416787 0.80 TSHR (0.55) TSHRPOLBCYP1A2CYP2D6CYP2C19
SCHEMBL7011029 0.79 NAMPT (0.57) TSHRPOLBCYP1A2NAMPTCYP2D6
SCHEMBL12313400 0.79 POLB (0.59) POLBKMT2A
SCHEMBL7419389 0.78 CYP1A2 (0.53) TSHRPOLBCYP1A2NAMPTCYP2D6
SCHEMBL1876581 0.78 IDO1 (0.70) TSHRPOLBNAMPTCYP2C19IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2049494-A2 TYROSINE KINASE INHIBITORS Merck & Co., Inc. (US) 2009-04-22 EP claimed
WO-2008008310-A2 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2008-01-17 WO claimed
EP-1255735-A2 PYRIDINE DERIVATIVES AS POTENTIATORS OF GLUTAMATE RECEPTORS ELI LILLY AND COMPANY (US) 2002-11-13 EP claimed
WO-2001056990-A2 PYRIDINE DERIVATES AS POTENTIATORS OF GLUTAMATE RECEPTORS ELI LILLY AND COMPANY (US) 2001-08-09 WO claimed
EP-2513114-A1 PYRROLO[2,3-D]PYRIMIDINE COMPOUNDS Pfizer Inc. (US) 2012-10-24 EP disclosed
US-20100256143-A1 PHARMACEUTICAL COMPOUNDS BAKER STEWART JAMES 2010-10-07 US disclosed
EP-2146981-A1 PHARMACEUTICAL COMPOUNDS F. Hoffmann-Roche AG (CH) 2010-01-27 EP disclosed
EP-2049494-A2 TYROSINE KINASE INHIBITORS Merck & Co., Inc. (US) 2009-04-22 EP disclosed
WO-2008125833-A1 PHARMACEUTICAL COMPOUNDS PIRAMED LIMITED (GB) 2008-10-23 WO disclosed
WO-2008008310-A2 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2008-01-17 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-20100256143-A1 PHARMACEUTICAL COMPOUNDS PIK3CA, PIK3CD, JAK2 TSHR 713/4885POLB 1095/4885CYP1A2 1185/4885

“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.