SCHEMBL5708295

SCHEMBL5708295

COc1ccc2c(c1)c(C(=O)Nc1cc(F)c(CC(=O)O)cc1Cl)cn2C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 7/20 0.49
ITGA4 P13612 7/20 0.49
AKR1C3 P42330 3/20 0.44
AKR1C4 P17516 1/20 0.44
PTGS1 P23219 1/20 0.44
AKR1C2 P52895 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CREBBP Q92793 2/20 0.43
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MTNR1A P48039 3/20 0.42
MTNR1B P49286 3/20 0.42
NQO2 P16083 1/20 0.42
EP300 Q09472 1/20 0.41
ABCG2 Q9UNQ0 1/20 0.41
ADRB2 P07550 1/20 0.40
LMNA P02545 2/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP1A2 P05177 1/20 0.39

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
SCHEMBL5708315 0.89 ITGB1 (0.47) ITGB1ITGA4AKR1C3MEN1KMT2A
SCHEMBL2432672 0.89 ITGB1 (0.52) ITGB1ITGA4AKR1C3AKR1C2
SCHEMBL71415 0.85 ITGB1 (0.60) ITGB1ITGA4KMT2ACREBBPALDH1A1
SCHEMBL2429977 0.83 ITGB1 (0.50) ITGB1ITGA4AKR1C3PTGS1AKR1C2
SCHEMBL91561 0.80 MEN1 (0.48) MEN1KMT2ACREBBPALDH1A1SMN1; SMN2
SCHEMBL2432198 0.79 ITGB1 (0.48) ITGB1ITGA4PTGS1MEN1KMT2A
SCHEMBL14491723 0.79 ITGB1 (0.51) ITGB1ITGA4ALDH1A1SMN1; SMN2LMNA
SCHEMBL2429778 0.78 ITGB1 (0.51) ITGB1ITGA4MEN1KMT2ACREBBP
SCHEMBL71040 0.76 ITGB1 (0.57) ITGB1ITGA4KMT2AALDH1A1LMNA
SCHEMBL2435704 0.76 ITGB1 (0.51) ITGB1ITGA4MEN1KMT2ACREBBP

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-20070149606-A1 Process for producing phenylacetic acid derivative DAIICHI PHARMACEUTICAL CO.,LTD. (JP) 2007-06-28 US disclosed
US-20070149606-A1 Process for producing phenylacetic acid derivative DAIICHI PHARMACEUTICAL CO.,LTD. (JP) 2007-06-28 US disclosed
EP-1698611-A1 PROCESS FOR PRODUCING PHENYLACETIC ACID DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-09-06 EP 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-20070149606-A1 Process for producing phenylacetic acid derivative UGT1A4, VPS4B, CYP3A4 ITGB1 1987/4885ITGA4 106/4885AKR1C3 471/4885

“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.