SCHEMBL7638337

SCHEMBL7638337

CC(C)c1cccc(OCCO)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.62
TSHR P16473 1/20 0.62
ALDH1A1 P00352 2/20 0.57
LMNA P02545 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
RECQL P46063 2/20 0.52
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
PTGES O14684 1/20 0.47
ALOX5 P09917 1/20 0.47
PPARG P37231 1/20 0.47
PPARA Q07869 1/20 0.47
SPHK1 Q9NYA1 1/20 0.44
ADRB2 P07550 1/20 0.43
ADRB1 P08588 1/20 0.43
ADRB3 P13945 1/20 0.43
HTR1A P08908 1/20 0.42
HTR7 P34969 1/20 0.42
ROCK1 Q13464 2/20 0.41
ROCK2 O75116 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
SCHEMBL18765924 0.86 ALDH1A1 (0.48) KDM4ETSHRALDH1A1LMNASMN1; SMN2
SCHEMBL18765922 0.86 ALDH1A1 (0.48) KDM4ETSHRALDH1A1LMNASMN1; SMN2
SCHEMBL18353918 0.86 KDM4E (0.62) KDM4ETSHRALDH1A1LMNASMN1; SMN2
SCHEMBL5018851 0.84 KDM4E (0.69) KDM4ETSHRALDH1A1LMNASMN1; SMN2
SCHEMBL2776515 0.83 ALDH1A1 (0.53) KDM4ETSHRALDH1A1LMNASMN1; SMN2
SCHEMBL4307974 0.83 ALDH1A1 (0.48) KDM4ETSHRALDH1A1LMNASMN1; SMN2
SCHEMBL6480911 0.82 KDM4E (0.62) KDM4ETSHRALDH1A1LMNASMN1; SMN2
SCHEMBL10224193 0.82 KDM4E (0.62) KDM4ETSHRALDH1A1LMNASMN1; SMN2
SCHEMBL12417824 0.82 KDM4E (0.62) KDM4ETSHRALDH1A1LMNASMN1; SMN2
SCHEMBL4854291 0.82 KDM4E (0.62) KDM4ETSHRALDH1A1LMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024044778-A2 NOVEL MODULATORS OF FSHR AND USES THEREOF CELMATIX INC. (US) 2024-02-29 WO disclosed
US-20230265173-A1 SULFONAMIDE-CONTAINING LINKAGE SYSTEMS FOR DRUG CONJUGATES ZYMEWORKS BC INC. (CA) 2023-08-24 US disclosed
US-20230265173-A1 SULFONAMIDE-CONTAINING LINKAGE SYSTEMS FOR DRUG CONJUGATES ZYMEWORKS BC INC. (CA) 2023-08-24 US disclosed
US-11560422-B2 Sulfonamide-containing linkage systems for drug conjugates ZYMEWORKS INC. 2023-01-24 US disclosed
US-11351168-B1 2,4-disubstituted pyrimidines useful as kinase inhibitors CELGENE CAR LLC (BM) 2022-06-07 US disclosed
EP-3086815-B1 SULFONAMIDE-CONTAINING LINKAGE SYSTEMS FOR DRUG CONJUGATES ZYMEWORKS INC (CA) 2022-02-09 EP disclosed
US-10010548-B2 2,4-disubstituted pyrimidines useful as kinase inhibitors CELGENE CAR LLC (BM) 2018-07-03 US disclosed
US-9987276-B2 Substituted 2,4-diaminopyrimidines as kinase inhibitors CELGENE CAR LLC (BM) 2018-06-05 US disclosed
US-20170267630-A1 CLASS-AND ISOFORM-SPECIFIC HDAC INHIBITORS AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2017-09-21 US disclosed
WO-2017068412-A1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2017-04-27 WO disclosed
US-20170100397-A1 HETEROARYL COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2017-04-13 US disclosed
US-20170029490-A1 SULFONAMIDE-CONTAINING LINKAGE SYSTEMS FOR DRUG CONJUGATES ZYMEWORKS INC. (CA) 2017-02-02 US disclosed
US-9540317-B2 Class- and isoform-specific HDAC inhibitors and uses thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2017-01-10 US disclosed
US-20150307444-A1 CLASS- AND ISOFORM-SPECIFIC HDAC INHIBITORS AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2015-10-29 US disclosed
WO-2015095953-A1 SULFONAMIDE-CONTAINING LINKAGE SYSTEMS FOR DRUG CONJUGATES THE CENTRE FOR DRUG RESEARCH AND DEVELOPMENT (CA) 2015-07-02 WO disclosed
US-8716344-B2 Class- and isoform-specific HDAC inhibitors and uses thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2014-05-06 US disclosed
US-20120208889-A1 CLASS- AND ISOFORM-SPECIFIC HDAC INHIBITORS AND USES THEREOF DANA-FARBER CANCER INSTITUE, INC. (US) 2012-08-16 US disclosed
US-20120208889-A1 CLASS- AND ISOFORM-SPECIFIC HDAC INHIBITORS AND USES THEREOF DANA-FARBER CANCER INSTITUE, INC. (US) 2012-08-16 US disclosed
US-6476258-B1 Process for producing aryloxyacetic acids SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-11-05 US disclosed
EP-1067108-A2 Process for producing aryloxyacetic acids SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-01-10 EP 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 (9 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-20230265173-A1 SULFONAMIDE-CONTAINING LINKAGE SYSTEMS FOR DRUG CONJUGATES MPST, TPST2, SULT1A1 KDM4E 1291/4885TSHR 2211/4885ALDH1A1 1011/4885
US-11351168-B1 2,4-disubstituted pyrimidines useful as kinase inhibitors DCK, CDK2, DTYMK KDM4E 866/4885TSHR 3159/4885ALDH1A1 2583/4885
US-20150307444-A1 CLASS- AND ISOFORM-SPECIFIC HDAC INHIBITORS AND USES THEREOF HDAC1, HDAC5, HDAC6 KDM4E 116/4885TSHR 3987/4885ALDH1A1 313/4885
US-10010548-B2 2,4-disubstituted pyrimidines useful as kinase inhibitors DCK, CDK2, DTYMK KDM4E 866/4885TSHR 3159/4885ALDH1A1 2583/4885
US-20120208889-A1 CLASS- AND ISOFORM-SPECIFIC HDAC INHIBITORS AND USES THEREOF HDAC1, HDAC5, HDAC6 KDM4E 116/4885TSHR 3987/4885ALDH1A1 313/4885
US-11560422-B2 Sulfonamide-containing linkage systems for drug conjugates MPST, TPST2, SULT1A1 KDM4E 1291/4885TSHR 2211/4885ALDH1A1 1011/4885
US-20170267630-A1 CLASS-AND ISOFORM-SPECIFIC HDAC INHIBITORS AND USES THEREOF HDAC1, HDAC5, HDAC6 KDM4E 116/4885TSHR 3987/4885ALDH1A1 313/4885
US-20170100397-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 KDM4E 3792/4885TSHR 2837/4885ALDH1A1 684/4885
US-20170029490-A1 SULFONAMIDE-CONTAINING LINKAGE SYSTEMS FOR DRUG CONJUGATES MPST, TPST2, SULT1A1 KDM4E 1291/4885TSHR 2211/4885ALDH1A1 1011/4885

“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.