SCHEMBL3799747

SCHEMBL3799747

Cc1ncsc1-c1cscn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
TSHR P16473 2/20 0.43
METAP1 P53582 4/20 0.37
METAP2 P50579 3/20 0.37
KDM4E B2RXH2 3/20 0.35
PKM P14618 1/20 0.35
CYP1A2 P05177 2/20 0.34
CYP2D6 P10635 2/20 0.34
CYP2C19 P33261 2/20 0.34
MEN1 O00255 2/20 0.34
LMNA P02545 2/20 0.34
KMT2A Q03164 2/20 0.34
CYP2C9 P11712 1/20 0.34
VHL P40337 1/20 0.34
TDP2 O95551 1/20 0.32
KDM4A O75164 2/20 0.32
KDM4B O94953 2/20 0.32
KDM5C P41229 2/20 0.32
KDM5B Q9UGL1 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32

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
SCHEMBL7220708 0.72 LMNA (0.53) ALDH1A1TSHRMETAP1METAP2KDM4E
SCHEMBL7964249 0.71 TSHR (0.50) ALDH1A1TSHRMETAP1METAP2KDM4E
SCHEMBL8944146 0.70 METAP2 (0.40) ALDH1A1TSHRMETAP1METAP2KDM4E
SCHEMBL2832225 0.69 KDM4E (0.54) METAP1KDM4EPKMKDM4AKDM4B
SCHEMBL9286689 0.67 ALDH1A1 (0.43) ALDH1A1TSHRMETAP1METAP2KDM4E
SCHEMBL5978656 0.67 ALDH1A1 (0.67) ALDH1A1TSHRKDM4EPKMCYP1A2
SCHEMBL2092562 0.65 ALDH1A1 (0.37) ALDH1A1TSHRKDM4EPKMCYP1A2
SCHEMBL7045901 0.64 RAB9A (0.45) TSHRMETAP1METAP2KDM4ECYP1A2
SCHEMBL3711759 0.64 METAP2 (0.36) ALDH1A1TSHRMETAP1METAP2KDM4E
SCHEMBL10284703 0.64 KMT2A (0.48) ALDH1A1TSHRMETAP1METAP2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11988661-B2 Rapid quantitative test to diagnose polycystic kidney disease UMC UTRECHT HOLDING, B.V. (NL) 2024-05-21 US disclosed
US-8389736-B2 Compounds having activity in correcting mutant-CFTR processing and uses thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-03-05 US disclosed
US-20100273839-A1 Compounds Having Activity in Correcting Mutant-CFTR Processing and Uses Thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2010-10-28 US disclosed
WO-2009051909-A1 COMPOUNDS HAVING ACTIVITY IN CORRECTING MUTANT-CFTR CELLULAR PROCESSING AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-04-23 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 (1 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-20100273839-A1 Compounds Having Activity in Correcting Mutant-CFTR Processing and Uses Thereof CFTR, ABCC5, ABCB11 ALDH1A1 3083/4885TSHR 3710/4885METAP1 614/4885

“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.