SCHEMBL9914965

SCHEMBL9914965

Bc1ccc(C(=O)NC(C)(C)C)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.50
▸ HTT P42858 1/20 0.50
▸ HDAC1 Q13547 1/20 0.48
▸ MAPT P10636 2/20 0.45
▸ SIRT2 Q8IXJ6 1/20 0.45
▸ CYP2C9 P11712 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ EPHX1 P07099 1/20 0.44
▸ PRKAB2 O43741 1/20 0.44
▸ PRKAG1 P54619 1/20 0.44
▸ PRKAA2 P54646 1/20 0.44
▸ PRKAA1 Q13131 1/20 0.44
▸ PRKAG3 Q9UGI9 1/20 0.44
▸ PRKAG2 Q9UGJ0 1/20 0.44
▸ PRKAB1 Q9Y478 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ AOC3 Q16853 2/20 0.43
▸ JAK2 O60674 1/20 0.43
▸ MAOB P27338 1/20 0.43
▸ MEN1 O00255 1/20 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
SCHEMBL17865779 0.89 LMNA (0.58) LMNAHTTHDAC1MAPTSIRT2
SCHEMBL2522600 0.83 LMNA (0.53) LMNAHTTHDAC1MAPTSIRT2
SCHEMBL2264435 0.81 ALDH1A1 (0.61) LMNAHTTHDAC1MAPTSMN1; SMN2
SCHEMBL13762029 0.81 HDAC1 (0.67) LMNAHTTHDAC1MAPTSMN1; SMN2
SCHEMBL25753418 0.81 LMNA (0.51) LMNAHTTHDAC1MAPTSIRT2
SCHEMBL162828 0.81 TSHR (0.54) LMNAHTTMAPTSIRT2CYP2C9
SCHEMBL3716265 0.81 SRD5A2 (0.53) LMNAHTTCYP2C9SMN1; SMN2EPHX1
SCHEMBL13701770 0.81 HDAC2 (0.59) LMNAHTTMAPTSMN1; SMN2EPHX1
SCHEMBL3037706 0.80 HDAC1 (0.60) LMNAHTTHDAC1JAK2
SCHEMBL21016381 0.79 EPHX2 (0.51) LMNAHTTMAPTSIRT2CYP2C9

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
EP-2875007-B1 AMIDE, UREA OR SULFONE AMIDE LINKED BENZOTHIAZOLE INHIBITORS OF ENDOTHELIAL LIPASE BRISTOL MYERS SQUIBB CO (US) 2016-08-24 — — EP disclosed
US-8987314-B2 Amide, urea or sulfone amide linked benzothiazole inhibitors of endothelial lipase BRISTOL-MYERS SQUIBB COMPANY (US) 2015-03-24 — — US disclosed
US-20140045811-A1 AMIDE, UREA OR SULFONE AMIDE LINKED BENZOTHIAZOLE INHIBITORS OF ENDOTHELIAL LIPASE BRISTOL-MYERS SQUIBB COMPANY 2014-02-13 — — US disclosed
US-8198460-B2 Process for preparation of letrozole and its intermediates FRESENIUS KABI ONCOLOGY LTD. (IN) 2012-06-12 — — US disclosed
US-20120015919-A1 THERAPIES FOR TREATING CANCER USING COMBINATIONS OF COX-2 INHIBITORS AND AROMATASE INHIBITORS OR COMBINATIONS OF COX-2 INHIBITORS AND ESTROGEN RECEPTOR ANTAGONISTS TRAGARA PHARMACEUTICALS, INC. (US) 2012-01-19 — — US disclosed
US-20100234617-A1 PROCESS FOR PREPARATION OF LETROZOLE AND ITS INTERMEDIATES FRESENIUS KABI ONCOLOGY LTD. (IN) 2010-09-16 — — 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-20140045811-A1 AMIDE, UREA OR SULFONE AMIDE LINKED BENZOTHIAZOLE INHIBITORS OF ENDOTHELIAL LIPASE LIPG, LIPE, CEL LMNA 1733/4885HTT 3880/4885HDAC1 188/4885
US-20120015919-A1 THERAPIES FOR TREATING CANCER USING COMBINATIONS OF COX-2 INHIBITORS AND AROMATASE INHIBITORS OR COMBINATIONS OF COX-2 INHIBITORS AND ESTROGEN RECEPTOR ANTAGONISTS PTGER2, PTGES2, PTGS2 LMNA 3384/4885HTT 4623/4885HDAC1 1267/4885
US-20100234617-A1 PROCESS FOR PREPARATION OF LETROZOLE AND ITS INTERMEDIATES CYP19A1, CYP4B1, CYP3A4 LMNA 629/4885HTT 4588/4885HDAC1 842/4885

“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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