SCHEMBL31369413

SCHEMBL31369413

COc1ccc2c(c1)c(C[C@H](N)C(=O)O)cn2CC(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLA2G2A P14555 2/20 0.52
▸ AKR1A1 P14550 1/20 0.51
▸ AKR1B1 P15121 1/20 0.51
▸ TBXAS1 P24557 1/20 0.47
▸ MTNR1A P48039 1/20 0.46
▸ MTNR1B P49286 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ AKR1C3 P42330 3/20 0.45
▸ AKR1C2 P52895 2/20 0.45
▸ MAPT P10636 1/20 0.44
▸ RECQL P46063 1/20 0.44
▸ ADRB2 P07550 1/20 0.44
▸ ADAM17 P78536 1/20 0.44
▸ SYK P43405 1/20 0.44
▸ HTR6 P50406 2/20 0.44

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
SCHEMBL19410201 0.87 PLA2G2A (0.48) PLA2G2AAKR1A1AKR1B1TBXAS1MTNR1A
SCHEMBL30711166 0.87 PLA2G2A (0.48) PLA2G2AAKR1A1AKR1B1TBXAS1MTNR1A
SCHEMBL19410203 0.87 PLA2G2A (0.48) PLA2G2AAKR1A1AKR1B1TBXAS1MTNR1A
SCHEMBL18028919 0.85 ADRB2 (0.59) PLA2G2AMTNR1AMTNR1BALDH1A1AKR1C3
SCHEMBL19427003 0.84 PLA2G2A (0.46) PLA2G2AAKR1A1AKR1B1TBXAS1MTNR1A
SCHEMBL31688464 0.81 PTGDR2 (0.54) AKR1A1AKR1B1TBXAS1ALDH1A1HPGD
SCHEMBL22188707 0.78 ALDH1A1 (0.65) TBXAS1ALDH1A1KDM4ETSHRMAPT
SCHEMBL22188706 0.78 ALDH1A1 (0.65) TBXAS1ALDH1A1KDM4ETSHRMAPT
SCHEMBL29552404 0.78 ALDH1A1 (0.65) TBXAS1ALDH1A1KDM4ETSHRMAPT
SCHEMBL18029182 0.78 ALDH1A1 (0.49) PLA2G2AMTNR1AMTNR1BALDH1A1RAB9A

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-20240400499-A1 NOVEL AMINO ACID DERIVATIVES PEPTIDREAM INC (JP) 2024-12-05 — — US claimed
US-20240400499-A1 NOVEL AMINO ACID DERIVATIVES PEPTIDREAM INC (JP) 2024-12-05 — — 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 (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-20240400499-A1 NOVEL AMINO ACID DERIVATIVES BCAT1, BCAT2, PELP1 PLA2G2A 4715/4885AKR1A1 4462/4885AKR1B1 4397/4885

“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.

Send feedback