SCHEMBL9608852

SCHEMBL9608852

CC(C)(C)OC(=O)NC/C=C/C=C/CCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.46
CTSK P43235 4/20 0.46
CTSS P25774 4/20 0.46
IDO1 P14902 1/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA7 P43166 1/20 0.44
CA14 Q9ULX7 1/20 0.44
SYK P43405 1/20 0.44
NAMPT P43490 1/20 0.43
AKT1 P31749 2/20 0.42
CTSL P07711 2/20 0.42
CTSB P07858 2/20 0.42
GPR52 Q9Y2T5 3/20 0.41
ATM Q13315 1/20 0.41

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
SCHEMBL8533416 0.88 GPR52 (0.48) GPR52
SCHEMBL16658711 0.80 GPR52 (0.47) GPR52
SCHEMBL15534344 0.80 GPR52 (0.50) GPR52
SCHEMBL15534342 0.80 GPR52 (0.50) GPR52
SCHEMBL23959499 0.80 EPHX2 (0.49) CTSKCTSSIDO1CA12CA1
SCHEMBL7966733 0.80 CA12 (0.47) SIGMAR1CTSKCTSSIDO1CA12
SCHEMBL572740 0.77 IDO1 (0.60) SIGMAR1CTSKCTSSIDO1CA12
SCHEMBL9608627 0.76 GPR52 (0.41) CTSKCTSSCTSLCTSBGPR52
SCHEMBL8837533 0.76 CA12 (0.49) SIGMAR1CTSKCTSSIDO1CA12
SCHEMBL4583679 0.76 IDO1 (0.53) SIGMAR1CTSKCTSSIDO1CA12

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-2852581-B1 NOVEL 1,3-BENZOXAZOL-2(3H)-ONES AND THEIR USE AS MEDICAMENTS AND COSMETICS WOLFF AUGUST GMBH & CO KG ARZNEIMITTEL DR (DE) 2016-05-04 EP disclosed
US-9199948-B2 1,3-benzoxazol-2(3H)-ones and their use as medicaments and cosmetics DR. AUGUST WOLFF GMBH & CO. KG ARZNEIMITTEL (DE) 2015-12-01 US disclosed
US-9199948-B2 1,3-benzoxazol-2(3H)-ones and their use as medicaments and cosmetics DR. AUGUST WOLFF GMBH & CO. KG ARZNEIMITTEL (DE) 2015-12-01 US disclosed
US-20150111935-A1 NOVEL 1,3-BENZOXAZOL-2(3H)-ONES AND THEIR USE AS MEDICAMENTS AND COSMETICS DR. AUGUST WOLFF GMBH & CO. KG ARZNEIMITTEL (DE) 2015-04-23 US disclosed
US-20150111935-A1 NOVEL 1,3-BENZOXAZOL-2(3H)-ONES AND THEIR USE AS MEDICAMENTS AND COSMETICS DR. AUGUST WOLFF GMBH & CO. KG ARZNEIMITTEL (DE) 2015-04-23 US disclosed
WO-2012069605-A1 NOVEL E,E-DIENE COMPOUNDS AND THEIR USE AS MEDICAMENTS AND COSMETICS DR. AUGUST WOLFF GMBH & CO. KG ARZNEIMITTEL (DE) 2012-05-31 WO 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-20150111935-A1 NOVEL 1,3-BENZOXAZOL-2(3H)-ONES AND THEIR USE AS MEDICAMENTS AND COSMETICS TRPV1, TRPA1, P2RX3 SIGMAR1 300/4885CTSK 254/4885CTSS 722/4885

“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.