SCHEMBL3387191

SCHEMBL3387191

C[S@+]([O-])Cc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.43
CALM1 P0DP23 1/20 0.41
TSHR P16473 4/20 0.39
ALDH1A1 P00352 4/20 0.39
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
IDO1 P14902 1/20 0.38
LOXL2 Q9Y4K0 1/20 0.38
TRPA1 O75762 1/20 0.38
KDM4E B2RXH2 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPT P10636 1/20 0.37
MAOB P27338 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
ALOX12 P18054 1/20 0.36
CASP1 P29466 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TAAR1 Q96RJ0 2/20 0.36

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
SCHEMBL15579733 1.00 TP53 (0.43) TP53CALM1TSHRALDH1A1CES2
SCHEMBL40995 1.00 TP53 (0.43) TP53CALM1TSHRALDH1A1CES2
SCHEMBL6868253 0.80 ALDH1A1 (0.44) TP53ALDH1A1IDO1LOXL2TDP1
Ethane SCHEMBL7199050 0.79 TP53 (0.43) TP53CALM1TSHRALDH1A1CES2
SCHEMBL340372 0.78 CALM1 (0.45) TP53CALM1TSHRALDH1A1CES2
Benzene SCHEMBL11030926 0.78 CALM1 (0.45) TP53CALM1TSHRALDH1A1CES2
SCHEMBL1109607 0.78 TP53 (0.48) TP53CALM1TSHRALDH1A1IDO1
SCHEMBL2603135 0.78 TP53 (0.48) TP53CALM1TSHRALDH1A1IDO1
SCHEMBL6765639 0.77 IDO1 (0.44) TP53ALDH1A1IDO1TDP1MAPT
SCHEMBL18780575 0.77 IDO1 (0.44) TP53ALDH1A1IDO1TDP1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230348441-A1 BICYCLIC COMPOUND THAT ACTS AS CRBN PROTEIN REGULATOR MEDSHINE DISCOVERY INC. (CN) 2023-11-02 US disclosed
US-20230348441-A1 BICYCLIC COMPOUND THAT ACTS AS CRBN PROTEIN REGULATOR MEDSHINE DISCOVERY INC. (CN) 2023-11-02 US disclosed
EP-1696912-B1 PYRAZOLOPYRIDINES AND ANALOGS THEREOF 3M INNOVATIVE PROPERTIES CO (US) 2016-05-11 EP disclosed
US-8367871-B2 Process for production of optically active sulfoxide compound using iron-salan complex catalyst NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2013-02-05 US disclosed
US-20100094037-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE SULFOXIDE COMPOUND USING IRON-SALAN COMPLEX CATALYST NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2010-04-15 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 (2 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-20100094037-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE SULFOXIDE COMPOUND USING IRON-SALAN COMPLEX CATALYST SCLY, SFXN1, SQOR TP53 4860/4885CALM1 3930/4885TSHR 2721/4885
US-20230348441-A1 BICYCLIC COMPOUND THAT ACTS AS CRBN PROTEIN REGULATOR CRBN, CRKL, NCOR1 TP53 1333/4885CALM1 246/4885TSHR 931/4885

“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.