SCHEMBL18798847

SCHEMBL18798847

CCc1n[nH]c2c1CCS(=O)(=O)C2

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 3/20 0.36
▸ ALDH1A1 P00352 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ TSHR P16473 1/20 0.31

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
SCHEMBL19413426 0.84 HSD17B10 (0.39) HSD17B10TSHR
SCHEMBL17232740 0.77 ALDH1A1 (0.30) HSD17B10ALDH1A1MAPTHPGD
SCHEMBL17229783 0.73 CYP2C19 (0.31) —
SCHEMBL13948699 0.71 HCAR2 (0.44) HSD17B10MAPTHPGDTSHR
SCHEMBL14048246 0.71 HCAR2 (0.44) HSD17B10ALDH1A1MAPTHPGDTSHR
SCHEMBL16517262 0.70 HCAR2 (0.57) TSHR
SCHEMBL19297183 0.69 — —
SCHEMBL19153230 0.67 CYP2C19 (0.33) MAPTHPGD
SCHEMBL21388568 0.67 HSD17B10 (0.36) HSD17B10TSHR
SCHEMBL21388626 0.66 HCAR2 (0.35) HSD17B10ALDH1A1MAPTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10787453-B2 Octahydropyrrolopyrroles their preparation and use THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2020-09-29 — — US disclosed
US-20190290771-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME BLINKBIO, INC. 2019-09-26 — — US disclosed
US-9637450-B2 Octahydrocyclopentapyrroles, their preparation and use THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2017-05-02 — — 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-20190290771-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME CD44, MSN, AS3MT HSD17B10 3435/4885ALDH1A1 2151/4885MAPT 1162/4885
US-10787453-B2 Octahydropyrrolopyrroles their preparation and use QDPR, DPYD, DHPS HSD17B10 2984/4885ALDH1A1 875/4885MAPT 1453/4885

“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.

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