SCHEMBL8203530

SCHEMBL8203530

CCC(C)(C)c1ccc2ncsc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.42
RAB9A P51151 5/20 0.42
KDM4E B2RXH2 2/20 0.42
HKDC1 Q2TB90 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
NTRK1 P04629 2/20 0.42
NTRK2 Q16620 2/20 0.42
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 1/20 0.41
DYRK1A Q13627 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
POLB P06746 2/20 0.40
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HSD17B10 Q99714 1/20 0.40
PKM P14618 1/20 0.39
LMNA P02545 2/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL13265535 0.87 ALDH1A1 (0.40) NPC1RAB9ANTRK1NTRK2MEN1
SCHEMBL10235035 0.87 RAB9A (0.42) NPC1RAB9AKDM4EHKDC1TDP1
SCHEMBL761993 0.82 MEN1 (0.52) NPC1RAB9AKDM4EHKDC1TDP1
SCHEMBL6091102 0.82 NPC1 (0.45) NPC1RAB9AKDM4EHKDC1TDP1
SCHEMBL25054159 0.79 NPC1 (0.45) NPC1RAB9AKDM4EHKDC1TDP1
SCHEMBL20991103 0.77 NPC1 (0.42) NPC1RAB9AKDM4EHKDC1TDP1
SCHEMBL25159100 0.75 NPC1 (0.41) NPC1RAB9AKDM4EHKDC1TDP1
SCHEMBL979232 0.75 NPC1 (0.57) NPC1RAB9AKDM4EHKDC1TDP1
SCHEMBL25064292 0.75 NTRK1 (0.40) NPC1RAB9AKDM4EHKDC1TDP1
SCHEMBL24037602 0.74 ALDH1A1 (0.38) NTRK1NTRK2TAS1R3TAS1R1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11352360-B2 TGF-beta inhibitors Rigel Pharmaceuticals, hic. (US) 2022-06-07 US disclosed
US-20210284651-A1 Spiropiperidine Derivatives CEPHALON LLC 2021-09-16 US disclosed
US-20200031832-A1 TGF-Beta Inhibitors MIDCAP FINANCIAL TRUST 2020-01-30 US disclosed
US-9884868-B2 TGF-beta inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2018-02-06 US disclosed
US-9732083-B2 Tricyclic gyrase inhibitors MERCK SHARP & DOHME CORP. (US) 2017-08-15 US disclosed
US-9714221-B1 Substituted 6,7-dihydro-5H-benzo[7]annulene compounds, processes for their preparation and therapeutic uses thereof SANOFI (FR) 2017-07-25 US disclosed
EP-1881977-B1 HISTONE DEACETYLASE INHIBITORS CHROMA THERAPEUTICS LTD (GB) 2011-01-05 EP disclosed
WO-2008053131-A1 HYDROXAMATES AS INHIBITORS OF HISTONE DEACETYLASE CHROMA THERAPEUTICS LTD. (GB) 2008-05-08 WO 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 (3 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-11352360-B2 TGF-beta inhibitors TGFBR1, TGFBR2, TGFB1 NPC1 2491/4885RAB9A 2258/4885KDM4E 1524/4885
US-20200031832-A1 TGF-Beta Inhibitors TGFBR1, TGFBR2, TGFB1 NPC1 2491/4885RAB9A 2258/4885KDM4E 1524/4885
US-20210284651-A1 Spiropiperidine Derivatives FASN, FADS2, SCD5 NPC1 291/4885RAB9A 2835/4885KDM4E 3729/4885

“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.