SCHEMBL10042200

SCHEMBL10042200

Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.65
▸ EPHX2 P34913 1/20 0.58
▸ F13A1 P00488 2/20 0.57
▸ TGM2 P21980 2/20 0.57
▸ TGM1 P22735 2/20 0.57
▸ ALDH1A1 P00352 2/20 0.56
▸ POLB P06746 1/20 0.55
▸ L3MBTL1 Q9Y468 2/20 0.53
▸ USP2 O75604 1/20 0.53
▸ RAB9A P51151 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ LMNA P02545 1/20 0.52
▸ HSD17B10 Q99714 1/20 0.52
▸ PKM P14618 1/20 0.52
▸ TGM3 Q08188 1/20 0.52

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
SCHEMBL10042199 0.88 EPHX2 (0.53) TDP1EPHX2F13A1TGM2TGM1
SCHEMBL308426 0.85 TGM2 (0.53) TDP1EPHX2F13A1TGM2TGM1
SCHEMBL18410584 0.83 TGM2 (0.65) F13A1TGM2TGM1ALDH1A1POLB
SCHEMBL10042197 0.81 TDP1 (0.55) TDP1EPHX2F13A1TGM2TGM1
SCHEMBL2226727 0.80 TGM2 (0.64) EPHX2F13A1TGM2TGM1RAB9A
SCHEMBL5301558 0.79 TGM2 (0.55) F13A1TGM2TGM1ALDH1A1POLB
SCHEMBL11945569 0.79 TGM2 (0.49) EPHX2F13A1TGM2TGM1POLB
SCHEMBL1955697 0.79 ALDH1A1 (0.62) F13A1TGM2TGM1ALDH1A1POLB
SCHEMBL16771434 0.79 BRD4 (0.69) F13A1TGM2TGM1POLB
SCHEMBL698155 0.78 EPHX2 (0.46) TDP1EPHX2F13A1TGM2TGM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8536183-B2 3-pyridylcarbonyl-piperazinylsulfonyl derivatives Convergence Pharmaceuticals Limited (GB) 2013-09-17 — — US disclosed
US-20120302746-A1 3-PYRIDYLCARBONYL-PIPERAZINYLSULFONYL DERIVATIVES BESWICK PAUL JOHN (GB) 2012-11-29 — — US disclosed
US-8288388-B2 3-pyridylcarbonyl-piperazinylsulfonyl derivatives Convergence Pharmaceuticals Limited (GB) 2012-10-16 — — US disclosed
US-8093249-B2 Pyrazolo[1,5-A]pyrimidine-carbonyl-piperazine derivatives Convergence Pharmaceuticals Limited (GB) 2012-01-10 — — US disclosed
US-20100022555-A1 Novel Derivatives Convergence Pharmaceuticals Limited (GB) 2010-01-28 — — US disclosed
US-20100016330-A1 Novel Derivatives Convergence Pharmaceuticals Limited (GB) 2010-01-21 — — 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 (3 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-20100016330-A1 Novel Derivatives CACNB2, CACNA1B, CACNA1D TDP1 4090/4885EPHX2 3915/4885F13A1 4570/4885
US-20100022555-A1 Novel Derivatives CACNB2, CACNA1B, CACNA1D TDP1 4090/4885EPHX2 3915/4885F13A1 4570/4885
US-20120302746-A1 3-PYRIDYLCARBONYL-PIPERAZINYLSULFONYL DERIVATIVES CACNB2, CACNA1C, KCNJ2 TDP1 4313/4885EPHX2 4441/4885F13A1 4492/4885

“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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