SCHEMBL17764400

SCHEMBL17764400

CC(NC(=O)OC(C)(C)C)c1cccc(-c2cc(COc3ccccc3CC(=O)OC(C)(C)C)cc(NCC(F)(F)F)c2)c1F

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CFD P00746 9/20 0.38
▸ F11 P03951 7/20 0.36
▸ TPSB2 P20231 7/20 0.36
▸ MTNR1A P48039 1/20 0.33
▸ MTNR1B P49286 1/20 0.33
▸ PTPN1 P18031 2/20 0.33
▸ PTGER1 P34995 2/20 0.32
▸ PTGER4 P35408 2/20 0.32
▸ PTGER3 P43115 2/20 0.32
▸ PTGER2 P43116 2/20 0.32
▸ PLG P00747 1/20 0.32
▸ PLAU P00749 1/20 0.32
▸ KLKB1 P03952 1/20 0.32
▸ F7 P08709 1/20 0.32
▸ FFAR1 O14842 1/20 0.32
▸ CTSB P07858 1/20 0.31
▸ CTSS P25774 1/20 0.31
▸ CTSK P43235 1/20 0.31
▸ CACNA1B Q00975 1/20 0.30

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
SCHEMBL16410550 1.00 CFD (0.38) CFDF11TPSB2MTNR1AMTNR1B
SCHEMBL16397339 0.94 CFD (0.44) CFDF11TPSB2PTGER1PTGER4
SCHEMBL16410460 0.92 CFD (0.39) CFDF11TPSB2MTNR1AMTNR1B
SCHEMBL17764260 0.92 CFD (0.39) CFDF11TPSB2MTNR1AMTNR1B
SCHEMBL16410248 0.92 CFD (0.39) CFDF11TPSB2MTNR1AMTNR1B
SCHEMBL17764370 0.91 CFD (0.38) CFDF11TPSB2MTNR1AMTNR1B
SCHEMBL17764371 0.91 CFD (0.38) CFDF11TPSB2MTNR1AMTNR1B
SCHEMBL16410315 0.91 CFD (0.38) CFDF11TPSB2MTNR1AMTNR1B
SCHEMBL16410475 0.91 CFD (0.38) CFDF11TPSB2MTNR1AMTNR1B
SCHEMBL16396934 0.89 CFD (0.41) CFDF11TPSB2MTNR1AMTNR1B

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-20160145247-A1 Aminomethyl-Biaryl Derivatives Complement Factor D inhibitors and uses thereof NOVARTIS AG (CH) 2016-05-26 — — 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-20160145247-A1 Aminomethyl-Biaryl Derivatives Complement Factor D inhibitors and uses thereof CFD, CFH, CFB CFD 1/4885F11 17/4885TPSB2 248/4885

“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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