SCHEMBL10132023

SCHEMBL10132023

CC(C)(C)c1ccc2sc(C(C)(C)C)cc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
STS P08842 1/20 0.36
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
PKM P14618 1/20 0.35
RECQL P46063 1/20 0.35
KMT2A Q03164 1/20 0.35
KCNH2 Q12809 2/20 0.35
SCN10A Q9Y5Y9 2/20 0.35
TNF P01375 1/20 0.35
NOD1 Q9Y239 1/20 0.35
TSHR P16473 1/20 0.34
TRPV1 Q8NER1 2/20 0.33
NPC1 O15118 1/20 0.33
PLA2G1B P04054 1/20 0.33

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
SCHEMBL25807784 0.86 EPHX2 (0.41) STSMEN1KMT2AHDAC6KIF11
SCHEMBL1754103 0.86 DHPS (0.39) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL8279312 0.82 TSHR (0.38) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL2705922 0.81 TNF (0.36) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL16482576 0.80 ALDH1A1 (0.36) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL28744637 0.80 ALDH1A1 (0.36) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL30661287 0.80 ALDH1A1 (0.36) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL2708073 0.80 STS (0.33) ALDH1A1ALOX15STSMAPTCYP1A2
SCHEMBL13208527 0.79 CYP2A6 (0.52) TDP1STSMAPTTSHRRAB9A
SCHEMBL3870578 0.78 PPARA (0.33) STSKMT2ATRPV1HDAC3HDAC1

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
US-20230295197-A1 STAT5 and STAT6 Degraders and Uses Thereof REGENTS OF THE UNIV OF MICHICAN (US) 2023-09-21 US disclosed
US-20230295200-A1 STAT5 and STAT6 Inhibitors and Uses Thereof UNIV MICHIGAN (US) 2023-09-21 US disclosed
US-20230295197-A1 STAT5 and STAT6 Degraders and Uses Thereof REGENTS OF THE UNIV OF MICHICAN (US) 2023-09-21 US disclosed
US-20230295200-A1 STAT5 and STAT6 Inhibitors and Uses Thereof UNIV MICHIGAN (US) 2023-09-21 US disclosed
US-20210015940-A1 HUMANIZED ANTI-PROSTATE -SPECIFIC MEMBRANE ANTIGEN (PSMA) ANTIBODY DRUG CONJUGATES AMBRX, INC. (US) 2021-01-21 US disclosed
US-9133104-B2 Enzyme inhibitors CHROMA THERAPEUTICS LTD. (GB) 2015-09-15 US disclosed
US-8906913-B2 Azabicyclohexanes PANACEA BIOTEC LIMITED (IN) 2014-12-09 US disclosed
US-20140163042-A1 ENZYME INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2014-06-12 US disclosed
US-20130116318-A1 Enzyme Inhibitors CHROMA THERAPEUTICS LTD. (GB) 2013-05-09 US disclosed
US-8415383-B2 Substituted benzamidines as antibacterial agents BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2013-04-09 US disclosed
US-20130072520-A2 ANTIBACTERIAL AGENTS BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2013-03-21 US disclosed
US-20120187385-A1 Conjugated Polymers and Their Use in Optoelectronic Devices RAYNERGY TEK INC. (TW) 2012-07-26 US disclosed
US-20120165320-A1 NOVEL AZABICYCLOHEXANES PANACEA BIOTEC LTD. (IN) 2012-06-28 US disclosed
US-20120122918-A1 ANTIBACTERIAL AGENTS BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2012-05-17 US disclosed
US-7973181-B2 Hydroxamic acid derivatives as inhibitors of HDAC enzymatic activity CHROMA THERAPEUTICS LTD. (GB) 2011-07-05 US disclosed
US-7939666-B2 Enzyme inhibitors CHROMA THERAPEUTICS LTD. (GB) 2011-05-10 US disclosed
US-20100298388-A1 SUBSTITUTED BENAMIDINES AS ANTIBACTERIAL AGENTS BIOTA EUROPE LTD. (GB) 2010-11-25 US disclosed
US-20100173933-A1 ANTIBACTERIAL AGENTS PROLYSIS LTD (GB) 2010-07-08 US disclosed
US-20090298924-A1 HYDROXAMIC ACID DERIVATIVES AS INHIBITORS OF HDAC ENZYMATIC ACTIVITY CHROMA THERAPEUTICS LTD (GB) 2009-12-03 US disclosed
US-20090291978-A1 Enzyme Inhibitors CHROMA THERAPEUTICS LTD. (GB) 2009-11-26 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 (12 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-20130116318-A1 Enzyme Inhibitors HDAC1, HDAC11, HDAC7 ALDH1A1 220/4885HPGD 226/4885ALOX15 3686/4885
US-20120122918-A1 ANTIBACTERIAL AGENTS ALK, ROS1, ARG1 ALDH1A1 787/4885HPGD 4263/4885ALOX15 3215/4885
US-20130072520-A2 ANTIBACTERIAL AGENTS ALK, ROS1, NOX1 ALDH1A1 800/4885HPGD 3468/4885ALOX15 1548/4885
US-20090298924-A1 HYDROXAMIC ACID DERIVATIVES AS INHIBITORS OF HDAC ENZYMATIC ACTIVITY HDAC1, HDAC3, HAT1 ALDH1A1 348/4885HPGD 2611/4885ALOX15 1097/4885
US-20230295197-A1 STAT5 and STAT6 Degraders and Uses Thereof STAT6, STAT5B, STAT5A ALDH1A1 2337/4885HPGD 3234/4885ALOX15 1367/4885
US-20210015940-A1 HUMANIZED ANTI-PROSTATE -SPECIFIC MEMBRANE ANTIGEN (PSMA) ANTIBODY DRUG CONJUGATES FOLH1, KLK3, PSMA6 ALDH1A1 1821/4885HPGD 1667/4885ALOX15 4307/4885
US-20120165320-A1 NOVEL AZABICYCLOHEXANES CYP3A43, UGT1A1, CYP3A4 ALDH1A1 295/4885HPGD 443/4885ALOX15 2983/4885
US-20100298388-A1 SUBSTITUTED BENAMIDINES AS ANTIBACTERIAL AGENTS ALK, CBR3, CBR1 ALDH1A1 626/4885HPGD 4087/4885ALOX15 1582/4885
US-20140163042-A1 ENZYME INHIBITORS HAT1, NR2E1, HDAC3 ALDH1A1 723/4885HPGD 2764/4885ALOX15 2674/4885
US-20230295200-A1 STAT5 and STAT6 Inhibitors and Uses Thereof STAT6, STAT5B, STAT5A ALDH1A1 3158/4885HPGD 3521/4885ALOX15 1557/4885
US-20090291978-A1 Enzyme Inhibitors HAT1, NR2E1, NR2C2 ALDH1A1 1343/4885HPGD 3113/4885ALOX15 2755/4885
US-20100173933-A1 ANTIBACTERIAL AGENTS ALK, ROS1, NOX1 ALDH1A1 800/4885HPGD 3468/4885ALOX15 1548/4885

“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.