SCHEMBL5926541

SCHEMBL5926541

CC(C)(C)c1ccc(Oc2cccc(CNc3ccc(Cl)cc3C(=O)N[C@@H](Cc3ccc(-c4ccccc4OCc4ccccc4)cc3)C(=O)O)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KIFC1 Q9BW19 2/20 0.48
▸ GPR34 Q9UPC5 7/20 0.46
▸ PTPN1 P18031 2/20 0.42
▸ GPR132 Q9UNW8 2/20 0.41
▸ ITGB1 P05556 1/20 0.41
▸ ITGA4 P13612 1/20 0.41
▸ ITGB7 P26010 1/20 0.41
▸ MRGPRX4 Q96LA9 1/20 0.40
▸ PLA2G1B P04054 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ ATG4B Q9Y4P1 1/20 0.40
▸ FFAR1 O14842 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ KMT2A Q03164 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
SCHEMBL5926899 0.94 ITGA4 (0.42) KIFC1GPR34ITGB1ITGA4ITGB7
SCHEMBL5926329 0.92 KIFC1 (0.51) KIFC1GPR34PTPN1ITGB1ITGA4
SCHEMBL3991234 0.90 FFAR1 (0.42) KIFC1GPR34ITGB1ITGA4ITGB7
SCHEMBL5926738 0.90 SERPINE1 (0.49) KIFC1GPR34PTPN1GPR132ITGB1
SCHEMBL5927210 0.89 ITGA4 (0.45) KIFC1GPR34ITGB1ITGA4ITGB7
SCHEMBL5926544 0.89 FFAR1 (0.41) GPR34PLA2G1BHTTL3MBTL1ATG4B
SCHEMBL5926977 0.88 FFAR1 (0.45) KIFC1GPR34ITGB1ITGA4ITGB7
SCHEMBL5926282 0.86 GPR34 (0.42) KIFC1GPR34GPR132ITGB1ITGA4
SCHEMBL5927129 0.86 GPR34 (0.57) KIFC1GPR34PTPN1GPR132ITGB1
SCHEMBL5926825 0.85 ITGB1 (0.40) KIFC1GPR34ITGB1ITGA4ITGB7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060276518-A1 Aryl and heteroaryl compounds and methods to modulate coagulation TRANSTECH PHARMA, INC. 2006-12-07 — — 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-20060276518-A1 Aryl and heteroaryl compounds and methods to modulate coagulation TFPI, F9, F2 KIFC1 4489/4885GPR34 4272/4885PTPN1 2517/4885

“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