SCHEMBL3978072

SCHEMBL3978072

O=C(N[C@@H](Cc1ccc(-c2ccc(Oc3ccccc3)cc2)cc1)C(=O)O)c1cc(Cl)ccc1NCc1cccc2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GPR34 Q9UPC5 3/20 0.45
▸ ITGB1 P05556 7/20 0.43
▸ ITGA4 P13612 7/20 0.43
▸ ITGB7 P26010 5/20 0.43
▸ PYGL P06737 2/20 0.42
▸ ITGB2 P05107 1/20 0.42
▸ ICAM1 P05362 1/20 0.42
▸ ITGAL P20701 1/20 0.42
▸ PTPN1 P18031 1/20 0.42
▸ ERAP1 Q9NZ08 2/20 0.42
▸ NHERF1 O14745 1/20 0.41
▸ PIN1 Q13526 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
SCHEMBL5926900 0.94 ITGB1 (0.47) ITGB1ITGA4ITGB7PYGLITGB2
SCHEMBL5926295 0.92 ITGA4 (0.44) GPR34ITGB1ITGA4ITGB7PYGL
SCHEMBL8339646 0.90 ITGB1 (0.44) ITGB1ITGA4ITGB7PYGLITGB2
SCHEMBL5926158 0.90 GPR34 (0.53) GPR34ITGB1ITGA4ITGB7PTPN1
SCHEMBL8300159 0.88 KIFC1 (0.47) ITGB1ITGA4ITGB7ITGB2ICAM1
SCHEMBL3995086 0.88 KIFC1 (0.47) ITGB1ITGA4ITGB7ITGB2ICAM1
SCHEMBL6101133 0.88 ITGB1 (0.44) ITGB1ITGA4ITGB7PYGLITGB2
SCHEMBL5926694 0.87 ITGB1 (0.47) ITGB1ITGA4ITGB7PYGLITGB2
SCHEMBL5926907 0.86 ITGB1 (0.45) ITGB1ITGA4ITGB7PYGLITGB2
SCHEMBL3978076 0.85 EGLN2 (0.47) —

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-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-20060276518-A1 Aryl and heteroaryl compounds and methods to modulate coagulation TRANSTECH PHARMA, INC. 2006-12-07 — — US disclosed
US-7122580-B2 Aryl and heteroaryl compounds and methods to modulate coagulation TRANSTECH PHARMA, INC. (US) 2006-10-17 — — 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 (2 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 GPR34 955/4885ITGB1 1520/4885ITGA4 1777/4885
US-20060276518-A1 Aryl and heteroaryl compounds and methods to modulate coagulation TFPI, F9, F2 GPR34 4272/4885ITGB1 240/4885ITGA4 312/4885

“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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