SCHEMBL31006729

SCHEMBL31006729

C[C@H](Nc1cccc(C(=O)O)c1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
KDM4E B2RXH2 2/20 0.53
CASR P41180 1/20 0.51
AKR1C3 P42330 4/20 0.50
AKR1C2 P52895 3/20 0.50
RAB9A P51151 6/20 0.49
NPC1 O15118 5/20 0.49
POLB P06746 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
RHOA P61586 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
MAPT P10636 1/20 0.48
HSD17B10 Q99714 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
MITF O75030 1/20 0.48

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
SCHEMBL17785164 0.88 KMT2A (0.58) ALDH1A1AKR1C3AKR1C2RAB9ANPC1
SCHEMBL17785165 0.88 KMT2A (0.58) ALDH1A1AKR1C3AKR1C2RAB9ANPC1
SCHEMBL27999432 0.87 PARP1 (0.50) MEN1KMT2A
SCHEMBL11453058 0.87 PTGS1 (0.55) ALDH1A1KDM4ERAB9ASMN1; SMN2MAPT
SCHEMBL11453059 0.87 PTGS1 (0.55) ALDH1A1KDM4ERAB9ASMN1; SMN2MAPT
SCHEMBL30607064 0.86 ALDH1A1 (0.56) ALDH1A1KDM4EAKR1C3AKR1C2RAB9A
SCHEMBL9911523 0.86 ALDH1A1 (0.56) ALDH1A1KDM4EAKR1C3AKR1C2RAB9A
Water SCHEMBL11454954 0.85 PTGS1 (0.54) ALDH1A1KDM4ERAB9ASMN1; SMN2MAPT
Water SCHEMBL11454953 0.85 PTGS1 (0.54) ALDH1A1KDM4ERAB9ASMN1; SMN2MAPT
SCHEMBL202931 0.84 ITGB3 (0.51) CASRPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12059473-B2 Humanized anti-prostate -specific membrane antigen (PSMA) antibody drug conjugates AMBRX, INC. (US) 2024-08-13 US claimed

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-12059473-B2 Humanized anti-prostate -specific membrane antigen (PSMA) antibody drug conjugates FOLH1, KLK3, PSMA6 ALDH1A1 1821/4885KDM4E 709/4885CASR 1383/4885

“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.