SCHEMBL3976257

SCHEMBL3976257

CCC(C)CNc1ccc(Cl)cc1C(=O)N[C@@H](Cc1ccc(-c2ccccc2OCc2ccccc2)cc1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KIFC1 Q9BW19 1/20 0.49
▸ GPR34 Q9UPC5 4/20 0.47
▸ ITGB1 P05556 5/20 0.44
▸ ITGA4 P13612 5/20 0.44
▸ ITGB7 P26010 5/20 0.44
▸ PTGER1 P34995 2/20 0.43
▸ PTGER4 P35408 1/20 0.43
▸ PTGER3 P43115 1/20 0.43
▸ PTGER2 P43116 1/20 0.43
▸ PTPN1 P18031 1/20 0.43
▸ MME P08473 2/20 0.42
▸ ACE P12821 2/20 0.42
▸ CPA1 P15085 2/20 0.42
▸ ACE2 Q9BYF1 2/20 0.42
▸ KCNA3 P22001 1/20 0.42
▸ GPR132 Q9UNW8 1/20 0.41
▸ PSMB5 P28074 1/20 0.41
▸ ERAP1 Q9NZ08 1/20 0.41

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
SCHEMBL6511059 0.98 KIFC1 (0.47) KIFC1GPR34ITGB1ITGA4ITGB7
SCHEMBL3973838 0.94 ABCG2 (0.45) KIFC1GPR34ITGB1ITGA4ITGB7
SCHEMBL5926509 0.90 ITGA4 (0.44) GPR34ITGB1ITGA4ITGB7MME
SCHEMBL3976260 0.87 CASP3 (0.42) PTGER1PTGER4PTGER3PTGER2MME
SCHEMBL5926329 0.84 KIFC1 (0.51) KIFC1GPR34ITGB1ITGA4ITGB7
SCHEMBL3978720 0.83 ITGA4 (0.44) GPR34ITGB1ITGA4ITGB7MME
SCHEMBL6511062 0.83 PTGER1 (0.39) PTGER1KCNA3
SCHEMBL5926268 0.82 KIFC1 (0.49) KIFC1GPR34ITGB1ITGA4ITGB7
SCHEMBL5927129 0.80 GPR34 (0.57) KIFC1GPR34ITGB1ITGA4ITGB7
SCHEMBL5926298 0.80 ITGA4 (0.47) GPR34ITGB1ITGA4ITGB7ERAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7501538-B2 Aryl and heteroaryl compounds, compositions and methods of use TRANSTECH PHARMA, INC. (US) 2009-03-10 — — US disclosed
US-7501538-B2 Aryl and heteroaryl compounds, compositions and methods of use TRANSTECH PHARMA, INC. (US) 2009-03-10 — — US disclosed
US-7501538-B2 Aryl and heteroaryl compounds, compositions and methods of use TRANSTECH PHARMA, INC. (US) 2009-03-10 — — US disclosed
US-20050049310-A1 Aryl and heteroaryl compounds, compositions and methods of use VTVX HOLDINGS I LLC 2005-03-03 — — 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-20050049310-A1 Aryl and heteroaryl compounds, compositions and methods of use EPOR, HBG2, CYP2F1 KIFC1 4686/4885GPR34 955/4885ITGB1 1520/4885

“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.

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