SCHEMBL17764369

SCHEMBL17764369

Cc1cc(COc2ccccc2CC(=O)OC(C)(C)C)cc(-c2cccc(C(C)NC(=O)OC(C)(C)C)c2F)c1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CFD P00746 8/20 0.40
▸ TACR1 P25103 1/20 0.38
▸ F11 P03951 7/20 0.37
▸ TPSB2 P20231 7/20 0.37
▸ PTPN1 P18031 1/20 0.36
▸ PLG P00747 1/20 0.34
▸ PLAU P00749 1/20 0.34
▸ KLKB1 P03952 1/20 0.34
▸ F7 P08709 1/20 0.34
▸ PTGER1 P34995 1/20 0.34
▸ PTGER4 P35408 1/20 0.34
▸ PTGER3 P43115 1/20 0.34
▸ PTGER2 P43116 1/20 0.34
▸ MTNR1A P48039 1/20 0.34
▸ MTNR1B P49286 1/20 0.34
▸ HDAC8 Q9BY41 1/20 0.33
▸ CD274 Q9NZQ7 4/20 0.33

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
SCHEMBL16410425 1.00 CFD (0.40) CFDTACR1F11TPSB2PTPN1
SCHEMBL16410410 0.93 CFD (0.41) CFDF11TPSB2PTPN1PLG
SCHEMBL17764277 0.93 CFD (0.41) CFDF11TPSB2PTPN1PLG
SCHEMBL16396934 0.93 CFD (0.41) CFDF11TPSB2PTPN1PLG
SCHEMBL16397032 0.91 CFD (0.40) CFDF11TPSB2PTPN1PLG
SCHEMBL17764314 0.91 CFD (0.41) CFDF11TPSB2PTPN1PLG
SCHEMBL16397030 0.91 CFD (0.40) CFDF11TPSB2PTPN1PLG
SCHEMBL17764313 0.91 CFD (0.41) CFDF11TPSB2PTPN1PLG
SCHEMBL16396609 0.91 CFD (0.39) CFDF11TPSB2PTPN1PLG
SCHEMBL17772642 0.91 CFD (0.39) CFDF11TPSB2PTPN1MTNR1A

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 1/4885TACR1 1696/4885F11 17/4885

“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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