SCHEMBL21536740

SCHEMBL21536740

CNC(=O)c1ccc(-c2cc(C(=O)O)no2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.62
PTPN1 P18031 2/20 0.60
SCD5 Q86SK9 3/20 0.60
HPGD P15428 3/20 0.60
MAPT P10636 3/20 0.60
RECQL P46063 1/20 0.60
SCD O00767 1/20 0.58
PLK1 P53350 1/20 0.52
CDH1 P12830 1/20 0.52
CTNNB1 P35222 1/20 0.52
TCF7L2 Q9NQB0 1/20 0.52
RARA P10276 1/20 0.50
RARB P10826 1/20 0.50
RARG P13631 1/20 0.50
RXRA P19793 1/20 0.50
ROCK2 O75116 1/20 0.49
PIM1 P11309 1/20 0.49
GSK3B P49841 1/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49

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
SCHEMBL10153708 0.80 ALDH1A1 (0.67) ALDH1A1HPGDMAPTNPC1RAB9A
SCHEMBL892878 0.79 ALDH1A1 (0.72) ALDH1A1PTPN1HPGDMAPTRECQL
SCHEMBL11902392 0.79 ALDH1A1 (0.62) ALDH1A1PTPN1HPGDMAPTRECQL
SCHEMBL11961394 0.78 NPC1 (0.60) SCD5HPGDMAPTSCDPLK1
SCHEMBL4093700 0.78 ALDH1A1 (0.66) ALDH1A1PTPN1HPGDMAPTRECQL
SCHEMBL6802996 0.78 TP53 (0.68) ALDH1A1HPGDMAPTROCK2PIM1
SCHEMBL17286672 0.77 NPC1 (0.58) SCD5MAPTSCDPLK1NPC1
SCHEMBL72786 0.77 ALDH1A1 (1.00) ALDH1A1PTPN1HPGDMAPTRECQL
SCHEMBL3219488 0.77 RAB9A (0.72) ALDH1A1PTPN1MAPTROCK2PIM1
SCHEMBL71299 0.77 ALDH1A1 (1.00) ALDH1A1PTPN1HPGDMAPTRECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10919885-B2 Compounds and uses thereof YUMANITY THERAPEUTICS, INC. (US) 2021-02-16 US disclosed
US-20190330198-A1 COMPOUNDS AND USES THEREOF JANSSEN PHARMACEUTICA NV (BE) 2019-10-31 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-10919885-B2 Compounds and uses thereof NLN, ACHE, CLN6 ALDH1A1 656/4885PTPN1 4301/4885SCD5 1575/4885
US-20190330198-A1 COMPOUNDS AND USES THEREOF NLN, ACHE, CLN6 ALDH1A1 656/4885PTPN1 4301/4885SCD5 1575/4885

“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.