SCHEMBL2852311

SCHEMBL2852311

CC(C)Oc1ccc(NC(=O)O)nc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GCK P35557 12/20 0.49
▸ ABL1 P00519 1/20 0.49
▸ RARA P10276 1/20 0.48
▸ RARB P10826 1/20 0.48
▸ RARG P13631 1/20 0.48
▸ KMT2A Q03164 1/20 0.46
▸ GLA P06280 1/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ LMNA P02545 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ ACACB O00763 2/20 0.44

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
SCHEMBL12935883 0.87 PTK2 (0.54) GCKABL1RARARARBRARG
SCHEMBL27211161 0.83 ALDH1A1 (0.48) GCKABL1RARARARBRARG
SCHEMBL4074720 0.81 DEGS1 (0.55) KMT2AALDH1A1LMNAMAPTRAB9A
SCHEMBL12924121 0.81 ABL1 (0.44) GCKABL1RARARARBRARG
Hydrochloric Acid SCHEMBL38658381 0.80 DEGS1 (0.54) KMT2AALDH1A1LMNAMAPTRAB9A
SCHEMBL13090478 0.79 ABL1 (0.64) ABL1KMT2AALDH1A1RAB9A
SCHEMBL32666885 0.75 PTK2 (0.48) ABL1KMT2AALDH1A1LMNAACACB
SCHEMBL23270830 0.75 DEGS1 (0.55) LMNAMAPTRAB9A
SCHEMBL711104 0.75 KMT2A (0.55) KMT2AALDH1A1ACACB
SCHEMBL5649401 0.75 KMT2A (0.55) KMT2AALDH1A1ACACB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2236494-B1 SULFONYL SUBSTITUTED 6-MEMBERED RING DERIVATIVE MSD KK (JP) 2016-08-31 — — EP disclosed
EP-2261210-B1 3-SUBSTITUTED SULFONYL PIPERAZINE DERIVATIVE MSD KK (JP) 2014-10-22 — — EP disclosed
US-8367698-B2 3-substituted sulfonyl piperidine derivative MSD K.K. (JP) 2013-02-05 — — US disclosed
US-20120232109-A1 3-SUBSTITUTED SULFONYL PIPERIDINE DERIVATIVE NAGASE TSUYOSHI (JP) 2012-09-13 — — US disclosed
US-8188280-B2 3-substituted sulfonyl piperidine derivative MSD K.K. (JP) 2012-05-29 — — US disclosed
US-20100331360-A1 3-SUBSTITUTED SULFONYL PIPERIDINE DERIVATIVE MSD K.K. (JP) 2010-12-30 — — US disclosed
EP-2261210-A1 3-SUBSTITUTED SULFONYL PIPERAZINE DERIVATIVE Banyu Pharmaceutical Co., Ltd. (JP) 2010-12-15 — — EP disclosed
EP-2236494-A1 SULFONYL SUBSTITUTED 6-MEMBERED RING DERIVATIVE Banyu Pharmaceutical Co., Ltd. (JP) 2010-10-06 — — EP disclosed
US-20100249147-A1 SULFONYL-SUBSTITUTED 6-MEMBERED RING DERIVATIVE MSD K.K. (JP) 2010-09-30 — — 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-20100249147-A1 SULFONYL-SUBSTITUTED 6-MEMBERED RING DERIVATIVE CHRM2, CHRM3, CHRM1 GCK 237/4885ABL1 3478/4885RARA 1318/4885
US-20100331360-A1 3-SUBSTITUTED SULFONYL PIPERIDINE DERIVATIVE H1-3, H1-0, H1-2 GCK 375/4885ABL1 4321/4885RARA 2525/4885
US-20120232109-A1 3-SUBSTITUTED SULFONYL PIPERIDINE DERIVATIVE H1-3, H1-0, H1-2 GCK 375/4885ABL1 4321/4885RARA 2525/4885

“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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