SCHEMBL292179

SCHEMBL292179

O=C1c2ccccc2C(=O)N1CC(F)(F)CO

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.47
CA9 Q16790 1/20 0.47
ALDH1A1 P00352 2/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
GABRA1 P14867 1/20 0.43
GABRG2 P18507 1/20 0.43
GABRB3 P28472 1/20 0.43
GABRA5 P31644 1/20 0.43
GABRA3 P34903 1/20 0.43
GABRA2 P47869 1/20 0.43
GLS O94925 1/20 0.43
CHRM2 P08172 1/20 0.42
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MAPK1 P28482 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
SCHEMBL30881298 1.00 CA12 (0.47) CA12CA9ALDH1A1MEN1KMT2A
Alcohol SCHEMBL9054340 0.95 ALDH1A1 (0.45) CA12CA9ALDH1A1KMT2ACHRM2
SCHEMBL4711840 0.86 CA12 (0.44) CA12CA9ALDH1A1MEN1KMT2A
SCHEMBL30280109 0.86 CA12 (0.44) CA12CA9ALDH1A1MEN1KMT2A
SCHEMBL30444643 0.84 CA12 (0.46) CA12CA9ALDH1A1MEN1KMT2A
SCHEMBL30881309 0.82 GLS (0.49) CA12CA9GABRA1GABRG2GABRB3
SCHEMBL9055216 0.82 GLS (0.49) CA12CA9GABRA1GABRG2GABRB3
SCHEMBL17942059 0.81 CA12 (0.56) CA12CA9ALDH1A1MEN1KMT2A
SCHEMBL22939448 0.80 CA12 (0.48) CA12CA9ALDH1A1GLSCHRM2
SCHEMBL9827776 0.80 GLS (0.50) MEN1KMT2AGLSCHRM2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2321319-B1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES INC (US) 2012-03-14 EP disclosed
EP-2321319-B1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES INC (US) 2012-03-14 EP disclosed
US-7998950-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2011-08-16 US disclosed
US-7998950-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2011-08-16 US disclosed
US-7998950-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2011-08-16 US disclosed
EP-2321319-A1 ANTIVIRAL COMPOUNDS Gilead Sciences, Inc. (US) 2011-05-18 EP disclosed
WO-2010011959-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2010-01-28 WO disclosed
WO-2010011959-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2010-01-28 WO disclosed
US-20100022508-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2010-01-28 US disclosed
US-20100022508-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2010-01-28 US disclosed
US-20100022508-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2010-01-28 US disclosed
EP-0472181-B1 5-Amine substituted adenosine analogs as immunosuppressants MERRELL PHARMA INC (US) 1996-10-02 EP disclosed
US-5416076-A S-adenosyl methionine decarboxylase inhibitors MERRELL DOW PHARMACEUTICALS INC. (US) 1995-05-16 US disclosed
US-5308837-A 5'-amine substituted adenosine analogs as immunosuppressants MERRELL DOW PHARMACEUTICALS INC. (US) 1994-05-03 US disclosed
EP-0472181-A2 5-Amine substituted adenosine analogs as immunosuppressants MERRELL PHARMACEUTICALS INC. (US) 1992-02-26 EP disclosed
EP-0358536-A2 Novel S-adenosyl methionine decarboxylase inhibitors MERRELL PHARMACEUTICALS INC. (US) 1990-03-14 EP disclosed
EP-0351475-A1 S-Adenosylmethionine decarboxylase inhibitors MERRELL DOW PHARMACEUTICALS INC. (US) 1990-01-24 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 (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-20100022508-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 CA12 4309/4885CA9 3805/4885ALDH1A1 3957/4885

“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.