SCHEMBL6414478

SCHEMBL6414478

O=S(=O)(Nc1cc2cnn(-c3cc4ccccc4o3)c2s1)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BCAT1 P54687 1/20 0.38
▸ CYP2C9 P11712 2/20 0.37
▸ SLC40A1 Q9NP59 2/20 0.36
▸ GPR27 Q9NS67 1/20 0.36
▸ PTPN2 P17706 3/20 0.35
▸ PTPN1 P18031 3/20 0.35
▸ PTPN5 P54829 3/20 0.35
▸ MAPT P10636 3/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ FBP1 P09467 1/20 0.35
▸ CYP19A1 P11511 1/20 0.35
▸ NT5E P21589 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35

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
SCHEMBL18493829 0.67 BCAT1 (0.54) BCAT1CYP2C9GPR27PTPN2PTPN1
SCHEMBL1098417 0.67 LMNA (0.50) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL6414471 0.65 PTGES2 (0.41) BCAT1CYP2C9GPR27PTPN2PTPN1
SCHEMBL1097665 0.64 SLC40A1 (0.52) SLC40A1NPSR1LMNASMN1; SMN2TSHR
SCHEMBL4009030 0.64 ACLY (0.38) PTPN2PTPN1PTPN5MAPTMEN1
SCHEMBL7490626 0.58 CA9 (0.41) BCAT1MAPTMEN1KMT2ANPSR1
SCHEMBL27845644 0.58 MEN1 (0.78) CYP2C9PTPN2PTPN1PTPN5MAPT
SCHEMBL1099660 0.57 GAA (0.46) MEN1KMT2ARXFP1KDM4EALDH1A1
SCHEMBL1094713 0.57 KEAP1 (0.48) SLC40A1MEN1HPGDKMT2AHSD17B10
SCHEMBL7847199 0.57 CA2 (0.50) MEN1HPGDKMT2AHSD17B10KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050026984-A1 Substituted thieno [2,3-c] pyrazoles and their use as medicinal products AVENTIS PHARMA S.A. (FR) 2005-02-03 — — US 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-20050026984-A1 Substituted thieno [2,3-c] pyrazoles and their use as medicinal products TPMT, PARK7, PRNP BCAT1 2316/4885CYP2C9 370/4885SLC40A1 2442/4885

“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