SCHEMBL3972843

SCHEMBL3972843

COC(=O)C[C@H](Cc1ccc(-c2ccc(Oc3ccccc3)cc2)cc1)NC(=O)c1cc(NCc2cccc3ccccc23)ccc1Cl

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 2/20 0.39
▸ LCK P06239 3/20 0.38
▸ ITGB1 P05556 2/20 0.38
▸ ITGA4 P13612 2/20 0.38
▸ FDPS P14324 1/20 0.37
▸ MME P08473 1/20 0.37
▸ EGLN2 Q96KS0 2/20 0.36
▸ EGLN1 Q9GZT9 2/20 0.36
▸ S1PR1 P21453 1/20 0.36
▸ GUSB P08236 1/20 0.36
▸ EDNRA P25101 1/20 0.36

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
SCHEMBL13899697 0.87 ITGB1 (0.47) ITGB1ITGA4
SCHEMBL3976460 0.79 UTS2R (0.39) FFAR1LCKFDPSEGLN2EGLN1
SCHEMBL3979314 0.75 TACR3 (0.44) ITGB1ITGA4
SCHEMBL3979310 0.75 TACR3 (0.44) ITGB1ITGA4
SCHEMBL3969892 0.74 RAB9A (0.51) FFAR1
SCHEMBL3969899 0.74 RAB9A (0.51) FFAR1
SCHEMBL13899767 0.73 KLKB1 (0.45) FFAR1ITGB1ITGA4MME
SCHEMBL3978072 0.72 GPR34 (0.45) ITGB1ITGA4
SCHEMBL3973679 0.72 MAOB (0.39) FFAR1LCK
SCHEMBL3978076 0.68 EGLN2 (0.47) EGLN2EGLN1

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-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
WO-2005014532-A1 ARYL AND HETEROARYL COMPOUNDS, COMPOSITIONS AND METHODS OF USE TRANSTECH PHARMA, INC. (US) 2005-02-17 — — 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-20050049310-A1 Aryl and heteroaryl compounds, compositions and methods of use EPOR, HBG2, CYP2F1 FFAR1 517/4885LCK 1673/4885ITGB1 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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