SCHEMBL13624815

SCHEMBL13624815

C=CCCN(CC(=O)O)[C@@H](C)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.41
CYP2C19 P33261 1/20 0.41
DAGLA Q9Y4D2 1/20 0.38
KMT2A Q03164 1/20 0.38
MTOR P42345 1/20 0.37
SLC6A9 P48067 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
RAB9A P51151 1/20 0.35
MAPT P10636 1/20 0.35
POLB P06746 1/20 0.35
LMNA P02545 1/20 0.35
TRPM8 Q7Z2W7 1/20 0.35

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
SCHEMBL12344914 1.00 ALOX5 (0.41) ALOX5CYP2C19DAGLAKMT2AMTOR
SCHEMBL10126870 0.86 KMT2A (0.42) ALOX5CYP2C19KMT2AMTOR
SCHEMBL18045294 0.86 KMT2A (0.42) ALOX5CYP2C19KMT2AMTOR
SCHEMBL7166960 0.85 ALOX5 (0.42) ALOX5CYP2C19DAGLAKMT2AMTOR
SCHEMBL27156506 0.84 TP53 (0.41) KMT2ASMN1; SMN2MAPTLMNA
SCHEMBL1357622 0.84 TP53 (0.41) KMT2ASMN1; SMN2MAPTLMNA
SCHEMBL16656809 0.82 ALOX5 (0.52) ALOX5DAGLAMTORPOLBTRPM8
SCHEMBL6823124 0.82 ALDH1A1 (0.41) ALOX5KMT2A
SCHEMBL6077517 0.82 ALDH1A1 (0.41) ALOX5KMT2A
SCHEMBL6077522 0.82 ALDH1A1 (0.41) ALOX5KMT2A

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-11918582-B2 Pyrazole pyrimidine compounds and uses thereof RAPT THERAPEUTICS, INC. (US) 2024-03-05 US disclosed
WO-2009140447-A1 IMMUNOMODULATION BY IAP INHIBITORS NOVARTIS AG (CH) 2009-11-19 WO 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-11918582-B2 Pyrazole pyrimidine compounds and uses thereof DCK, MCL1, DTYMK ALOX5 3201/4885CYP2C19 3798/4885DAGLA 3909/4885

“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.