SCHEMBL335641

SCHEMBL335641

COc1ccc(C(c2ccccc2)(c2ccccc2)C(S)C(=O)O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 7/20 0.52
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
PPARG P37231 1/20 0.44
PPARA Q07869 1/20 0.44
ALDH1A1 P00352 3/20 0.44
CYP1A2 P05177 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
LDHA P00338 1/20 0.44
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KCNH2 Q12809 1/20 0.42
PTGS2 P35354 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CRHBP P24387 1/20 0.42

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
SCHEMBL8457734 0.85 KIF11 (0.54) KIF11CES2CES1PPARGPPARA
SCHEMBL342180 0.84 CYP1A2 (0.41) KIF11CYP1A2KMT2A
SCHEMBL856139 0.84 CYP1A2 (0.41) KIF11CYP1A2KMT2A
SCHEMBL1143417 0.80 KIF11 (0.49) KIF11CES2CES1KCNH2
SCHEMBL1235122 0.76 KMT2A (0.48) KIF11CES1ALDH1A1CYP1A2GAA
SCHEMBL10179183 0.75 CA4 (0.50) KIF11CES2CES1ALDH1A1KCNH2
SCHEMBL10173286 0.75 CA4 (0.50) KIF11CES2CES1ALDH1A1KCNH2
Anisole SCHEMBL9404918 0.75 KIF11 (0.47) KIF11CES2CES1PPARGPPARA
SCHEMBL6039133 0.75 KIF11 (0.46) KIF11CES2CES1NPC1RAB9A
SCHEMBL14937220 0.74 KIF11 (0.46) KIF11SMN1; SMN2KCNH2KMT2A

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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9556161-B2 Inhibitors of histone deacetylase JANSSEN PHARMACEUTICA NV (BE) 2017-01-31 US disclosed
US-20150353549-A1 Inhibitors Of Histone Deacetylase JANSSEN PHARMACEUTICA NV (BE) 2015-12-10 US disclosed
US-9150560-B2 Inhibitors of histone deacetylase JANSSEN PHARMACEUTICA NV (BE) 2015-10-06 US disclosed
US-8865720-B2 Sulfonyl-derivatives as novel inhibitors of histone deacetylase JANSSEN PHARMACEUTICA NV (BE) 2014-10-21 US disclosed
US-20140171439-A1 Inhibitors Of Histone Deacetylase JANSSEN PHARMACEUTICA, N.V. (BE) 2014-06-19 US disclosed
US-8697717-B2 Inhibitors of histone deacetylase JANSSEN PHARMACEUTICA N.V. (BE) 2014-04-15 US disclosed
US-20140038979-A1 SULFONYL-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE JANSSEN PHARMACEUTICA NV (BE) 2014-02-06 US disclosed
US-8557825-B2 Sulfonyl-derivatives as novel inhibitors of histone deacetylase JANSSEN PHARMACEUTICA N.V. (BE) 2013-10-15 US disclosed
US-20130245034-A1 Inhibitors Of Histone Deacetylase JANSSEN PHARMACEUTICA, N.V. (BE) 2013-09-19 US disclosed
US-8455498-B2 Inhibitors of histone deacetylase JANSSEN PHARMACEUTICA N.V. (BE) 2013-06-04 US disclosed
US-7205304-B2 medicine to inhibit proliferative conditions, such as cancer and psoriasis JANSSEN PHARMACEUTICA N.V. (BE) 2007-04-17 US disclosed
US-20050222414-A1 N-(4-methylphenyl)-4-[4-[[(phenylmethoxy)amino]carbonyl]phenyl]-1-piperazinecarboxamide; anticarcinogenic, antiproliferative agent; ovarian carcinoma, psoriasis; gene transcription control JANSSEN PHARMACEUTICA N.V. (BE) 2005-10-06 US disclosed
US-20050113373-A1 medicine to inhibit proliferative conditions, such as cancer and psoriasis; detecting or identifying a histone deactylase (HDAC) in a biological sample JANSSEN PHARMACEUTICA N.V. (BE) 2005-05-26 US disclosed
US-20050096468-A1 E.g., N,N-dimethyl,((5-(hydroxyaminocarbonyl)pyrimidin-2-yl)(piperazin-1,4-ylene)sulfonamide; bioavailability; oral administration; metabolic stability; side effect reduction; psoriasis; anticarcinogenic -proliferative, -arthritic, -inflammatory agent; gene therapy; genetic transcription potentiation ACADIA WOODS PARTNERS, LLC 2005-05-05 US disclosed
EP-1485099-A1 INHIBITORS OF HISTONE DEACETYLASE JANSSEN PHARMACEUTICA N.V. (BE) 2004-12-15 EP disclosed
EP-1485364-A1 AMINOCARBONYL-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE JANSSEN PHARMACEUTICA N.V. (BE) 2004-12-15 EP disclosed
EP-1485365-A1 SULFONYL-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE JANSSEN PHARMACEUTICA N.V. (BE) 2004-12-15 EP disclosed
WO-2003075929-A1 INHIBITORS OF HISTONE DEACETYLASE JANSSEN PHARMACEUTICA N.V. (BE) 2003-09-18 WO disclosed
WO-2003076421-A1 AMINOCARBONYL-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE JANSSEN PHARMACEUTICA N.V. (BE) 2003-09-18 WO disclosed
WO-2003076422-A1 SULFONYL-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE JANSSEN PHARMACEUTICA N.V. (BE) 2003-09-18 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 (7 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-20050222414-A1 N-(4-methylphenyl)-4-[4-[[(phenylmethoxy)amino]carbonyl]phenyl]-1-piperazinecarboxamide; anticarcinogenic, antiproliferative agent; ovarian carcinoma, psoriasis; gene transcription control RELA, NFE2, HDAC1 KIF11 4041/4885CES2 3744/4885CES1 1860/4885
US-20050113373-A1 medicine to inhibit proliferative conditions, such as cancer and psoriasis; detecting or identifying a histone deactylase (HDAC) in a biological sample HDAC1, HDAC11, HDAC4 KIF11 2188/4885CES2 3365/4885CES1 966/4885
US-20140038979-A1 SULFONYL-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE HDAC3, HDAC1, HDAC11 KIF11 3491/4885CES2 522/4885CES1 201/4885
US-20130245034-A1 Inhibitors Of Histone Deacetylase HDAC1, HDAC3, HDAC11 KIF11 2614/4885CES2 1008/4885CES1 448/4885
US-20140171439-A1 Inhibitors Of Histone Deacetylase HDAC1, HDAC3, HDAC11 KIF11 2614/4885CES2 1008/4885CES1 448/4885
US-20150353549-A1 Inhibitors Of Histone Deacetylase HDAC1, HDAC3, HDAC11 KIF11 2614/4885CES2 1008/4885CES1 448/4885
US-20050096468-A1 E.g., N,N-dimethyl,((5-(hydroxyaminocarbonyl)pyrimidin-2-yl)(piperazin-1,4-ylene)sulfonamide; bioavailability; oral administration; metabolic stability; side effect reduction; psoriasis; anticarcinogenic -proliferative, -arthritic, -inflammatory agent; gene therapy; genetic transcription potentiation HDAC1, HDAC2, HDAC11 KIF11 3619/4885CES2 3406/4885CES1 939/4885

“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.