SCHEMBL6100713

SCHEMBL6100713

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

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.59
CASR P41180 1/20 0.56
TAAR1 Q96RJ0 1/20 0.55
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
NPC1 O15118 6/20 0.54
RAB9A P51151 6/20 0.54
POLB P06746 2/20 0.54
MITF O75030 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
KDM4E B2RXH2 1/20 0.52
MAPT P10636 1/20 0.52
HSD17B10 Q99714 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
HPSE Q9Y251 1/20 0.51
LMNA P02545 1/20 0.51
ALOX12 P18054 1/20 0.51
HTT P42858 1/20 0.51

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
SCHEMBL6100718 1.00 ALDH1A1 (0.59) ALDH1A1CASRTAAR1MEN1KMT2A
SCHEMBL19976682 0.89 POLB (0.65) ALDH1A1TAAR1MEN1KMT2ANPC1
SCHEMBL13406087 0.87 ALDH1A1 (0.62) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL25904778 0.84 ALDH1A1 (0.64) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL16747699 0.83 POLB (0.49) ALDH1A1TAAR1MEN1KMT2ANPC1
SCHEMBL19334386 0.81 ALDH1A1 (0.57) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL13515716 0.81 ALDH1A1 (0.68) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL4741417 0.81 TAAR1 (0.79) ALDH1A1TAAR1MEN1KMT2ANPC1
SCHEMBL5960486 0.81 TAAR1 (0.79) ALDH1A1TAAR1MEN1KMT2ANPC1
SCHEMBL1802214 0.81 TAAR1 (0.79) ALDH1A1TAAR1MEN1KMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7148243-B2 Antivirals MEDIVIR AB (SE) 2006-12-12 US disclosed
EP-1054867-B1 ANTIVIRALS MEDIVIR AB (SE) 2004-04-14 EP disclosed
US-20030119881-A1 N-((2-hydroxy,3-(alkyloxo),6-halophenyl)-(1,2-cyclopropylene) -),N'-((5-cyano or bromo)pyrid-2-yl)urea; retroviricides; HIV reverse transcriptase inhibitors; prolonged time to virus resistance MEDIVIR AB (SE) 2003-06-26 US disclosed
US-6486183-B1 Antivirals MEDIVIR AB (SE) 2002-11-26 US disclosed
EP-1054867-A1 ANTIVIRALS MEDIVIR AB (SE) 2000-11-29 EP disclosed
WO-1999036406-A1 ANTIVIRALS MEDIVIR AB (SE) 1999-07-22 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-20030119881-A1 N-((2-hydroxy,3-(alkyloxo),6-halophenyl)-(1,2-cyclopropylene) -),N'-((5-cyano or bromo)pyrid-2-yl)urea; retroviricides; HIV reverse transcriptase inhibitors; prolonged time to virus resistance RAD1, POLL, PNPO ALDH1A1 1387/4885CASR 3493/4885TAAR1 916/4885

“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.