SCHEMBL2789865

SCHEMBL2789865

Cc1ncc(CC(=O)O)n1Cc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C19 P33261 3/20 0.58
▸ PTGDR2 Q9Y5Y4 4/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ CYP2D6 P10635 1/20 0.50
▸ POLB P06746 2/20 0.47
▸ FNTA P49354 1/20 0.47
▸ FNTB P49356 1/20 0.47
▸ PGGT1B P53609 1/20 0.47
▸ LMNA P02545 2/20 0.46
▸ TSHR P16473 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.44
▸ NOTUM Q6P988 1/20 0.43
▸ AKR1B1 P15121 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ TNF P01375 1/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 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
SCHEMBL11092968 0.84 HPGDS (0.49) CYP2C19PTGDR2POLBLMNATSHR
SCHEMBL14005999 0.83 POLB (0.66) CYP2C19CYP3A4CYP2D6POLBFNTA
Water SCHEMBL11097766 0.82 HPGDS (0.48) CYP2C19PTGDR2POLBLMNATSHR
SCHEMBL9597447 0.80 CYP2C19 (0.59) CYP2C19CYP3A4CYP2D6POLBFNTA
SCHEMBL9570331 0.80 CYP2C19 (0.56) CYP2C19CYP3A4CYP2D6POLBFNTA
SCHEMBL1713531 0.77 SMN1; SMN2 (0.55) CYP2C19PTGDR2CYP3A4CYP2D6POLB
SCHEMBL28026195 0.75 CYP2C19 (0.59) CYP2C19CYP3A4CYP2D6POLBLMNA
Hydrochloric Acid SCHEMBL28085228 0.75 CYP2C19 (0.56) CYP2C19CYP3A4CYP2D6POLBFNTA
SCHEMBL5327448 0.74 AR (0.53) PTGDR2POLBLMNAKDM4EHTT
SCHEMBL11161541 0.74 CYP2C19 (0.54) CYP2C19CYP3A4CYP2D6POLBLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7691859-B2 Prenyl transferase inhibitors IPSEN PHARMA S.A.S. (FR) 2010-04-06 — — US disclosed
EP-1382607-B1 Prenyl transferase inhibitors IPSEN PHARMA (FR) 2009-08-19 — — EP disclosed
US-20080176835-A1 Prenyl Transferase Inhibitors BIOMEASURE, INCORPORATED 2008-07-24 — — US disclosed
US-7361656-B2 Prenyl transferase inhibitors SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES, S.A.S. (FR) 2008-04-22 — — US disclosed
US-7084135-B1 Prenyl transferase inhibitors SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES, SAS (FR) 2006-08-01 — — US disclosed
US-20060142275-A1 Prenyl transferase inhibitors IPSEN PHARMA S.A.S. (FR) 2006-06-29 — — US disclosed
EP-1140942-B1 PRENYL TRANSFERASE INHIBITORS CONSEILS DE RECH SET D APPLIC (FR) 2004-03-10 — — EP disclosed
EP-1382607-A2 Prenyl transferase inhibitors SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2004-01-21 — — EP 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-20080176835-A1 Prenyl Transferase Inhibitors FNTA, FNTB, RCE1 CYP2C19 1880/4885PTGDR2 2573/4885CYP3A4 944/4885
US-20060142275-A1 Prenyl transferase inhibitors FNTA, FNTB, RCE1 CYP2C19 1880/4885PTGDR2 2573/4885CYP3A4 944/4885

“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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