SCHEMBL2944623

SCHEMBL2944623

O=C(O)c1ccc(B2OCCCO2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.46
TP53 P04637 1/20 0.46
SRD5A2 P31213 3/20 0.41
CA1 P00915 3/20 0.40
CA2 P00918 3/20 0.40
CA12 O43570 2/20 0.40
CA4 P22748 2/20 0.40
CA9 Q16790 2/20 0.40
CA3 P07451 1/20 0.40
TYR P14679 1/20 0.40
DRD1 P21728 1/20 0.40
CA6 P23280 1/20 0.40
CA5A P35218 1/20 0.40
CA7 P43166 1/20 0.40
CA14 Q9ULX7 1/20 0.40
CA5B Q9Y2D0 1/20 0.40
HPGD P15428 1/20 0.39
ALDH1A1 P00352 2/20 0.39
ALOX15 P16050 1/20 0.39
TPMT P51580 1/20 0.39

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
SCHEMBL4465763 0.92 TSHR (0.50) TSHRTP53SRD5A2CA1CA2
SCHEMBL8087586 0.84 TSHR (0.41) TSHRTP53SRD5A2CA1CA2
SCHEMBL18256762 0.83 SMN1; SMN2 (0.41) CA1CA2HPGDALDH1A1SMN1; SMN2
SCHEMBL12425772 0.83 ALDH1A1 (0.36) ALDH1A1
SCHEMBL3686725 0.81
SCHEMBL14986017 0.79 KMO (0.43) CA1CA2CA12CA9CA6
Terephthalic Acid SCHEMBL4091430 0.79 TSHR (0.67) TSHRTP53SRD5A2CA1CA2
Terephthalic Acid SCHEMBL3895453 0.79 TSHR (0.67) TSHRTP53SRD5A2CA1CA2
SCHEMBL8083423 0.77 TSHR (0.41) TSHRTP53SRD5A2CA1CA2
SCHEMBL19295743 0.75 LMNA (0.36) CA1CA2CA12CA4CA9

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-10294372-B2 Surface-modified inorganic substance, method for manufacturing surface-modified inorganic substance, method for modifying surface of inorganic substance with organic substance, heat dissipation material, thermally conductive material, and lubricant FUJIFILM CORPORATION (JP) 2019-05-21 US disclosed
US-20170247546-A1 SURFACE-MODIFIED INORGANIC SUBSTANCE, METHOD FOR MANUFACTURING SURFACE-MODIFIED INORGANIC SUBSTANCE, METHOD FOR MODIFYING SURFACE OF INORGANIC SUBSTANCE WITH ORGANIC SUBSTANCE, HEAT DISSIPATION MATERIAL, THERMALLY CONDUCTIVE MATERIAL, AND LUBRICANT FUJIFILM CORPORATION (JP) 2017-08-31 US disclosed
EP-2536276-B1 NOVEL BEXAROTENE ANALOGS UNIV ARIZONA (US) 2016-11-23 EP disclosed
US-9174917-B2 Bexarotene analogs ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2015-11-03 US disclosed
US-20120309833-A1 NOVEL BEXAROTENE ANALOGS ARIZONA BOARD OF REGENTS, A BODY CORPORATE OF THE STATE OF ARIZONA ACTING FOR AND ON BEHALF OF ARIZONA STATE UNIVERSITY 2012-12-06 US disclosed
WO-2011103321-A1 NOVEL BEXAROTENE ANALOGS ARIZONA BOARD OF REGENTS, A BODY CORPORATE OF THE STATE OF ARIZONA, ACTING FOR AND ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2011-08-25 WO disclosed
US-7754886-B2 N-acylsulfonamide apoptosis promoters ABBOTT LABORATORIES (US) 2010-07-13 US disclosed
US-20090137585-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS ABBOTT LABORATORIES (US) 2009-05-28 US disclosed
EP-1318978-B1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS ABBOTT LAB (US) 2006-02-08 EP disclosed
US-6720338-B2 BCL-X1 INHIBITING COMPOSITIONS AND METHODS OF PROMOTING APOPTOSIS IN A MAMMAL ABBOTT LABORATORIES 2004-04-13 US disclosed
US-20020086887-A1 N-Acylsulfonamide apoptosis promoters ABBVIE INC. 2002-07-04 US disclosed
US-20020055631-A1 N-acylsulfonamide apoptosis promoters ABBOTT LABORATORIES 2002-05-09 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 (4 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-20020086887-A1 N-Acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 TSHR 4377/4885TP53 819/4885SRD5A2 2301/4885
US-20020055631-A1 N-acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 TSHR 4350/4885TP53 652/4885SRD5A2 2279/4885
US-20090137585-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS BAX, BCL2, BCOR TSHR 4129/4885TP53 352/4885SRD5A2 2695/4885
US-20120309833-A1 NOVEL BEXAROTENE ANALOGS TBXA2R, ENPP2, CXCL8 TSHR 1215/4885TP53 2763/4885SRD5A2 532/4885

“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.