SCHEMBL31369743

SCHEMBL31369743

N[C@@H](Cc1c[nH]c2ccc(C(F)(F)F)cc12)C(=O)O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.68
BLM P54132 3/20 0.68
HTR2A P28223 3/20 0.68
HTR2C P28335 3/20 0.68
KDM4E B2RXH2 2/20 0.68
LMNA P02545 2/20 0.68
MAPT P10636 2/20 0.68
TSHR P16473 2/20 0.68
PMP22 Q01453 2/20 0.68
NPSR1 Q6W5P4 2/20 0.68
HTR1A P08908 2/20 0.68
NFKB1 P19838 2/20 0.68
HTR2B P41595 2/20 0.68
ALDH1A1 P00352 1/20 0.68
CYP3A4 P08684 1/20 0.68
ADORA3 P0DMS8 1/20 0.68
ALOX15 P16050 1/20 0.68
SLC6A4 P31645 1/20 0.68
HTR7 P34969 1/20 0.68
MTOR P42345 1/20 0.68

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
SCHEMBL1768425 0.90 KMT2A (0.61) KMT2ABLMHTR2AHTR2CKDM4E
SCHEMBL1768423 0.90 KMT2A (0.61) KMT2ABLMHTR2AHTR2CKDM4E
SCHEMBL30317386 0.90 KMT2A (0.61) KMT2ABLMHTR2AHTR2CKDM4E
Hydrochloric Acid SCHEMBL28739154 0.89 KMT2A (0.60) KMT2ABLMHTR2AHTR2CKDM4E
SCHEMBL20549579 0.87 KMT2A (0.68) KMT2ABLMHTR2AHTR2CKDM4E
SCHEMBL20549580 0.87 KMT2A (0.68) KMT2ABLMHTR2AHTR2CKDM4E
Fluorotryptophane SCHEMBL125000 0.83 HTR2A (0.73) KMT2ABLMHTR2AHTR2CKDM4E
Fluorotryptophane SCHEMBL29358068 0.83 HTR2A (0.73) KMT2ABLMHTR2AHTR2CKDM4E
Fluorotryptophane SCHEMBL122142 0.83 HTR2A (0.73) KMT2ABLMHTR2AHTR2CKDM4E
Fluorotryptophane SCHEMBL29623254 0.83 HTR2A (0.73) KMT2ABLMHTR2AHTR2CKDM4E

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 3 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
CN-119930495-A Compounds and methods for their preparation 中国科学技术大学先进技术研究院 2025-05-06 CN disclosed
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 KMT2A 3415/4885BLM 4431/4885HTR2A 2719/4885

“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.