SCHEMBL2643155

SCHEMBL2643155

CCC(=O)c1ccc([S])cc1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.57
▸ SMN1; SMN2 Q16637 4/20 0.57
▸ L3MBTL1 Q9Y468 1/20 0.57
▸ ATM Q13315 1/20 0.48
▸ HSD17B3 P37058 2/20 0.43
▸ ALDH1A1 P00352 4/20 0.43
▸ HPGD P15428 2/20 0.43
▸ HTT P42858 2/20 0.43
▸ RAB9A P51151 4/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ PGR P06401 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ HSP90AB1 P08238 1/20 0.41
▸ SIGMAR1 Q99720 1/20 0.40
▸ GSK3B P49841 1/20 0.40

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
SCHEMBL8051337 0.87 SMN1; SMN2 (0.70) MAPTSMN1; SMN2L3MBTL1ATMHSD17B3
Ethyne SCHEMBL8050785 0.82 SMN1; SMN2 (0.64) MAPTSMN1; SMN2L3MBTL1ATMHSD17B3
SCHEMBL10389933 0.80 SMN1; SMN2 (0.83) MAPTSMN1; SMN2L3MBTL1ATMHSD17B3
SCHEMBL8282094 0.78 MAPT (0.59) MAPTSMN1; SMN2L3MBTL1ATMHSD17B3
SCHEMBL20620593 0.78 SMN1; SMN2 (0.59) MAPTSMN1; SMN2L3MBTL1ATMHSD17B3
SCHEMBL2644065 0.78 SMN1; SMN2 (0.59) MAPTSMN1; SMN2L3MBTL1ATMHSD17B3
Paroxypropione SCHEMBL440470 0.78 HSD17B3 (0.68) MAPTSMN1; SMN2L3MBTL1HSD17B3ALDH1A1
SCHEMBL1146446 0.78 SMN1; SMN2 (0.65) MAPTSMN1; SMN2L3MBTL1ALDH1A1HPGD
SCHEMBL507067 0.78 GSK3B (0.64) MAPTSMN1; SMN2L3MBTL1ATMALDH1A1
SCHEMBL11382828 0.76 MAPT (0.50) MAPTSMN1; SMN2L3MBTL1ATMALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8765789-B2 2-pyridinecarboxamide derivatives MSD K.K. (JP) 2014-07-01 — — US disclosed
US-20130085156-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES MSD K.K. (JP) 2013-04-04 — — US disclosed
US-8344003-B2 2-pyridinecarboxamide derivatives MSD K. K. (JP) 2013-01-01 — — US disclosed
US-7754743-B2 Heteroarylcarbamoylbenzene derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-07-13 — — US disclosed
US-20100041660-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES MSD K.K. (JP) 2010-02-18 — — US disclosed
US-7629362-B2 2-pyridine carboxamide derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-12-08 — — US disclosed
US-20090018056-A1 Heteroarylcarbamoylbenzene derivatives MSD K.K. (JP) 2009-01-15 — — US disclosed
US-7432287-B2 Heteroarylcarbamoylbenzene derivative BANYU PHARMECEUTICAL CO., LTD. (JP) 2008-10-07 — — US disclosed
US-20060258701-A1 Novel 2-pyridinecarboxamide derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-11-16 — — US disclosed
US-20060167053-A1 Heteroarylcarbamoylbenzene derivative MSD K.K. (JP) 2006-07-27 — — US disclosed
EP-1600442-A1 HETEROARYLCARBAMOYLBENZENE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-11-30 — — EP disclosed
EP-1598349-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-11-23 — — EP 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 (5 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-20090018056-A1 Heteroarylcarbamoylbenzene derivatives GCK, GCKR, KHK MAPT 4717/4885SMN1; SMN2 4432/4885L3MBTL1 3110/4885
US-20130085156-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES GCKR, GCK, HK2 MAPT 4596/4885SMN1; SMN2 4125/4885L3MBTL1 4342/4885
US-20060167053-A1 Heteroarylcarbamoylbenzene derivative GCK, GCKR, GALK1 MAPT 3837/4885SMN1; SMN2 4329/4885L3MBTL1 4074/4885
US-20060258701-A1 Novel 2-pyridinecarboxamide derivatives GCKR, GCK, HK2 MAPT 4612/4885SMN1; SMN2 4142/4885L3MBTL1 4359/4885
US-20100041660-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES GCKR, GCK, HK2 MAPT 4596/4885SMN1; SMN2 4125/4885L3MBTL1 4342/4885

“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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