SCHEMBL3043092

SCHEMBL3043092

COc1cc(F)ccc1-c1ccc(C=C2SC(=S)N(Nc3ccccc3C(=O)O)C2=O)o1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 7/20 0.51
▸ KMT2A Q03164 7/20 0.51
▸ MEN1 O00255 6/20 0.51
▸ MAPT P10636 5/20 0.51
▸ ALDH1A1 P00352 4/20 0.51
▸ L3MBTL1 Q9Y468 3/20 0.51
▸ TDP1 Q9NUW8 2/20 0.51
▸ CTDSP1 Q9GZU7 2/20 0.51
▸ PSMD14 O00487 1/20 0.51
▸ HPGD P15428 1/20 0.51
▸ RECQL P46063 1/20 0.51
▸ SYK P43405 1/20 0.49
▸ ENPP2 Q13822 1/20 0.48
▸ NPC1 O15118 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ MAP3K5 Q99683 3/20 0.45
▸ HTT P42858 2/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ OPRK1 P41145 1/20 0.44
▸ NPSR1 Q6W5P4 2/20 0.43

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
SCHEMBL3043090 1.00 POLB (0.51) POLBKMT2AMEN1MAPTALDH1A1
SCHEMBL3034468 0.91 MEN1 (0.49) POLBKMT2AMEN1MAPTALDH1A1
SCHEMBL3034470 0.91 MEN1 (0.49) POLBKMT2AMEN1MAPTALDH1A1
SCHEMBL3040764 0.90 ENPP2 (0.52) POLBKMT2AMEN1MAPTALDH1A1
SCHEMBL3040763 0.90 ENPP2 (0.52) POLBKMT2AMEN1MAPTALDH1A1
SCHEMBL3029824 0.90 MAP3K5 (0.52) POLBKMT2AMEN1MAPTALDH1A1
SCHEMBL3029823 0.90 MAP3K5 (0.52) POLBKMT2AMEN1MAPTALDH1A1
SCHEMBL3038357 0.86 POLB (0.49) POLBKMT2AMEN1MAPTALDH1A1
SCHEMBL3038361 0.86 POLB (0.49) POLBKMT2AMEN1MAPTALDH1A1
SCHEMBL3037088 0.85 ENPP2 (0.51) POLBKMT2AMEN1MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8338465-B2 Cyclic carboxylic acid rhodanine derivatives for the treatment and prevention of tuberculosis CORNELL RESEARCH FOUNDATION, INC. (US) 2012-12-25 — — US disclosed
US-20100210577-A1 CYCLIC CARBOXYLIC ACID RHODANINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF TUBERCULOSIS CORNELL RESEARCH FOUNDATION, INC. 2010-08-19 — — 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-20100210577-A1 CYCLIC CARBOXYLIC ACID RHODANINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF TUBERCULOSIS RARG, SDHA, RARS2 POLB 1558/4885KMT2A 3637/4885MEN1 3585/4885

“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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