SCHEMBL22200913

SCHEMBL22200913

CCOC(=O)c1cnc(S)n1-c1cccnc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.47
NPSR1 Q6W5P4 1/20 0.47
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
ALDH1A1 P00352 4/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
CYP3A4 P08684 3/20 0.42
GAA P10253 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
TP53 P04637 1/20 0.40
PKM P14618 1/20 0.40
LMNA P02545 2/20 0.40
GABRA1 P14867 3/20 0.39
CYP1A2 P05177 2/20 0.39
GABRB2 P47870 2/20 0.39
CYP11B1 P15538 2/20 0.39

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
SCHEMBL22189959 0.83 NPC1 (0.43) TSHRNPSR1NPC1RAB9AALDH1A1
SCHEMBL22200914 0.82 RAB9A (0.43) TSHRNPSR1NPC1RAB9AALDH1A1
SCHEMBL4035995 0.82 IDO1 (0.49) NPSR1NPC1RAB9AALDH1A1GAA
SCHEMBL26367604 0.81 ALDH1A1 (0.40) TSHRNPSR1RAB9AALDH1A1CYP3A4
SCHEMBL14249281 0.80 POLB (0.47) TSHRNPSR1NPC1RAB9AALDH1A1
SCHEMBL22189958 0.79 NPC1 (0.41) TSHRNPSR1NPC1RAB9AALDH1A1
SCHEMBL2543314 0.77 ALDH1A1 (0.43) TSHRNPSR1NPC1RAB9AALDH1A1
SCHEMBL22200950 0.77 VCP (0.52)
SCHEMBL11004197 0.76 NOD2 (0.50) TSHRNPSR1NPC1RAB9AALDH1A1
SCHEMBL20027831 0.74 ALDH1A1 (0.53) TSHRNPSR1NPC1RAB9AALDH1A1

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-11773075-B2 Modulators of p97 AAA ATPase activity University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2023-10-03 US disclosed
US-20220089565-A1 MODULATORS OF P97 AAA ATPASE ACTIVITY UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2022-03-24 US disclosed
US-11214560-B2 Modulators of P97 AAA ATPase activity University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2022-01-04 US disclosed
US-20200216410-A1 MODULATORS OF P97 AAA ATPASE ACTIVITY UNIVERSITY OF PITTSBURGH-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2020-07-09 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-20220089565-A1 MODULATORS OF P97 AAA ATPASE ACTIVITY PSMG3, CDC37, AHSA1 TSHR 4843/4885NPSR1 4656/4885NPC1 602/4885
US-20200216410-A1 MODULATORS OF P97 AAA ATPASE ACTIVITY PSMG3, AHSA1, CDC37 TSHR 4841/4885NPSR1 4605/4885NPC1 719/4885
US-11214560-B2 Modulators of P97 AAA ATPase activity PSMG3, AHSA1, CDC37 TSHR 4841/4885NPSR1 4605/4885NPC1 719/4885
US-11773075-B2 Modulators of p97 AAA ATPase activity PSMG3, CDC37, AHSA1 TSHR 4843/4885NPSR1 4656/4885NPC1 602/4885

“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.