SCHEMBL3798602

SCHEMBL3798602

CCC(C)c1ccc2ccsc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.42
ALDH1A1 P00352 2/20 0.42
USP2 O75604 1/20 0.42
PKM P14618 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 1/20 0.42
HDAC4 P56524 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
MAPT P10636 2/20 0.36
NPC1 O15118 1/20 0.36
NFKB1 P19838 1/20 0.36
RAB9A P51151 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SCN10A Q9Y5Y9 1/20 0.35
CA12 O43570 1/20 0.34
CA2 P00918 1/20 0.34

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
SCHEMBL3797741 0.86 CYP2A6 (0.44) GAAALDH1A1USP2PKMHPGD
SCHEMBL827121 0.81 RAB9A (0.44) GAAALDH1A1HDAC2HDAC8MAPT
SCHEMBL13363626 0.81 LMNA (0.41) ALDH1A1HSD17B10MAPTNFKB1MEN1
SCHEMBL29833612 0.78 UGT2B7 (0.50) ALOX15HSD17B10MAPTNPC1NFKB1
SCHEMBL23269518 0.78 SLC6A2 (0.32) NPC1RAB9ASMN1; SMN2CYP2A6SIGMAR1
SCHEMBL19954874 0.78 NPC1 (0.35) HDAC2HDAC8NPC1RAB9ASMN1; SMN2
SCHEMBL827789 0.76 NPC1 (0.41) GAAALDH1A1MAPTNPC1RAB9A
SCHEMBL9167387 0.76 ALDH1A1 (0.53) GAAALDH1A1USP2PKMHPGD
SCHEMBL25572216 0.76 HSP90AB1 (0.31)
SCHEMBL19308855 0.76 NPC1 (0.34) HDAC2NPC1RAB9ASMN1; 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220024891-A1 THERAPEUTICS TARGETING MUTANT ADENOMATOUS POLYPOSIS COLI (APC) FOR THE TREATMENT OF CANCER THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2022-01-27 US disclosed
US-20190282582-A1 PTERIDINE DIONE MONOCARBOXYLATE TRANSPORTER INHIBITORS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED 2019-09-19 US disclosed
US-10377746-B2 Indolin-2-one derivatives HOFFMANN-LA ROCHE INC. (US) 2019-08-13 US disclosed
US-7834004-B2 Sulfonyl-substituted bicyclic compounds as modulators of PPAR KALYPSYS, INC (US) 2010-11-16 US disclosed
US-7645400-B2 Composition containing carbon nanotubes having a coating MITSUBISHI RAYON CO., LTD. (JP) 2010-01-12 US disclosed
US-20090321688-A1 Carbon Nanotube Composition, Composite Having a Coated Film Composed of the Same, and Their Production Methods MITSUBISHI RAYON CO., LTD. (JP) 2009-12-31 US disclosed
US-20090264417-A1 SULFONYL-SUBSTITUTED BICYCLIC COMPOUNDS AS MODULATORS OF PPAR KALYPSYS, INC. (US) 2009-10-22 US disclosed
US-7504411-B2 2,3,6-Trisubstituted-4-pyrimidone derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-03-17 US disclosed
US-20060052509-A1 Composition containing carbon nanotubes having coating thereof and process for producing them MITSUBISHI RAYON CO., LTD. (JP) 2006-03-09 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-20190282582-A1 PTERIDINE DIONE MONOCARBOXYLATE TRANSPORTER INHIBITORS SLC16A1, SLC16A3, SLC16A7 GAA 3297/4885ALDH1A1 1079/4885USP2 3280/4885
US-10377746-B2 Indolin-2-one derivatives HTR3C, GRIN2D, DRD2 GAA 4432/4885ALDH1A1 2121/4885USP2 4715/4885
US-20220024891-A1 THERAPEUTICS TARGETING MUTANT ADENOMATOUS POLYPOSIS COLI (APC) FOR THE TREATMENT OF CANCER APC, VHL, KRAS GAA 2253/4885ALDH1A1 3985/4885USP2 1644/4885
US-20090264417-A1 SULFONYL-SUBSTITUTED BICYCLIC COMPOUNDS AS MODULATORS OF PPAR PPARG, PPARA, PPARD GAA 622/4885ALDH1A1 1551/4885USP2 4135/4885

“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.