SCHEMBL4829502

SCHEMBL4829502

COc1ccc(-c2ccc(S(C)(=O)=O)cc2)cc1CC(N)=O

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 10/20 0.48
▸ ERN1 O75460 1/20 0.46
▸ CSF1R P07333 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ FYN P06241 2/20 0.43
▸ HSD17B10 Q99714 1/20 0.41
▸ KCNH2 Q12809 1/20 0.41

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
SCHEMBL6504449 0.83 KDM4E (0.40) PTGS2CSF1RSMN1; SMN2HSD17B10
SCHEMBL4829759 0.82 HSD17B1 (0.44) PTGS2FYN
SCHEMBL4829512 0.81 TAAR1 (0.53) PTGS2SMN1; SMN2
SCHEMBL3784815 0.80 GAA (0.53) PTGS2HSD17B10
SCHEMBL4832008 0.80 TDP1 (0.48) PTGS2SMN1; SMN2
SCHEMBL5715568 0.79 PTGS2 (0.69) PTGS2ERN1SMN1; SMN2FYNHSD17B10
SCHEMBL7414193 0.76 HSD17B10 (0.62) PTGS2SMN1; SMN2HSD17B10KCNH2
SCHEMBL1032357 0.73 HSD17B10 (0.73) SMN1; SMN2HSD17B10
SCHEMBL14499498 0.73 PTGS2 (0.71) PTGS2ERN1SMN1; SMN2
SCHEMBL3659915 0.73 HSD17B10 (0.50) SMN1; SMN2HSD17B10

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-20050059713-A1 Aryl and heteroaryl compounds, compositions, and methods of use VTVX HOLDINGS I LLC 2005-03-17 — — US claimed
WO-2005014534-A1 ARYL AND HETEROARYL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE TRANSTECH PHARMA, INC. (US) 2005-02-17 — — WO claimed
US-7459472-B2 Aryl and heteroaryl compounds, compositions, and methods of use TRANSTECH PHARMA, INC. (US) 2008-12-02 — — US disclosed
US-20050059713-A1 Aryl and heteroaryl compounds, compositions, and methods of use VTVX HOLDINGS I LLC 2005-03-17 — — US disclosed
WO-2005014534-A1 ARYL AND HETEROARYL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE TRANSTECH PHARMA, INC. (US) 2005-02-17 — — 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-20050059713-A1 Aryl and heteroaryl compounds, compositions, and methods of use CYP2F1, CYP3A43, PNPO PTGS2 3634/4885ERN1 3361/4885CSF1R 3386/4885

“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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