SCHEMBL6717150

SCHEMBL6717150

O=C(Nc1ccccc1C(=O)C(F)(F)F)c1ccco1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 2/20 0.64
▸ SMN1; SMN2 Q16637 1/20 0.62
▸ RXFP1 Q9HBX9 1/20 0.61
▸ KMT2A Q03164 4/20 0.58
▸ TSHR P16473 2/20 0.56
▸ RECQL P46063 2/20 0.56
▸ KDM4E B2RXH2 1/20 0.56
▸ HSD17B10 Q99714 1/20 0.56
▸ GAA P10253 1/20 0.56
▸ MEN1 O00255 3/20 0.55
▸ NPC1 O15118 1/20 0.55
▸ PKM P14618 1/20 0.55
▸ MAPT P10636 3/20 0.55
▸ ESR2 Q92731 1/20 0.55
▸ EGFR P00533 1/20 0.54
▸ TUBB4A P04350 1/20 0.54
▸ TUBB P07437 1/20 0.54
▸ TUBA3C P0DPH7 1/20 0.54
▸ TUBA1B P68363 1/20 0.54
▸ TUBA4A P68366 1/20 0.54

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
SCHEMBL6716706 0.84 RXFP1 (0.51) MAPK1SMN1; SMN2RXFP1KMT2ATSHR
SCHEMBL6718796 0.84 RAB9A (0.55) MAPK1SMN1; SMN2RXFP1KMT2ATSHR
SCHEMBL15528812 0.82 MAPK1 (0.71) MAPK1SMN1; SMN2KMT2ATSHRRECQL
SCHEMBL8589705 0.81 RAB9A (0.50) MAPK1SMN1; SMN2RXFP1KMT2ATSHR
SCHEMBL31087262 0.81 MAPK1 (0.74) MAPK1SMN1; SMN2RXFP1KMT2ATSHR
SCHEMBL28634421 0.79 SMN1; SMN2 (0.66) MAPK1SMN1; SMN2RXFP1KMT2ATSHR
SCHEMBL15528700 0.78 MAPK1 (1.00) MAPK1KMT2ATSHRRECQLKDM4E
SCHEMBL6633552 0.77 SMN1; SMN2 (1.00) MAPK1SMN1; SMN2KMT2ATSHRRECQL
SCHEMBL30587183 0.77 SMN1; SMN2 (1.00) MAPK1SMN1; SMN2KMT2ATSHRRECQL
SCHEMBL15528615 0.76 RXFP1 (1.00) RXFP1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040087491-A1 Electrophilic ketones for the treatment of herpesvirus infections FLYNN DANIEL L (US) 2004-05-06 — — US claimed
US-20030119721-A1 Electrophilic ketones for the treatment of herpesvirus infections G. D. SEARLE & CO., CORPORATE PATENT DEPARTMENT 2003-06-26 — — US claimed
EP-0888322-B1 ELECTROPHILIC KETONES FOR THE TREATMENT OF HERPESVIRUS INFECTIONS SEARLE & CO (US) 2002-09-18 — — EP claimed
EP-0888322-A2 ELECTROPHILIC KETONES FOR THE TREATMENT OF HERPESVIRUS INFECTIONS G.D. SEARLE & CO. (US) 1999-01-07 — — EP claimed
WO-1997034566-A2 ELECTROPHILIC KETONES FOR THE TREATMENT OF HERPESVIRUS INFECTIONS G.D. SEARLE & CO. (US) 1997-09-25 — — WO claimed
US-20040087491-A1 Electrophilic ketones for the treatment of herpesvirus infections FLYNN DANIEL L (US) 2004-05-06 — — US disclosed
US-6673788-B2 CONTAINING 2,2,2-TRIFLUORO-1-OXOETHYL GROUPS G. D. SEARLE & CO. 2004-01-06 — — US disclosed
US-6673784-B1 HALOSUBSTITUTED ACETOPHENONES AS SELECTIVE HERPESVIRUS PROTEASE INHIBITORS G. D. SEARLE & CO. 2004-01-06 — — US disclosed
US-20030119721-A1 Electrophilic ketones for the treatment of herpesvirus infections G. D. SEARLE & CO., CORPORATE PATENT DEPARTMENT 2003-06-26 — — US disclosed
EP-0888322-B1 ELECTROPHILIC KETONES FOR THE TREATMENT OF HERPESVIRUS INFECTIONS SEARLE & CO (US) 2002-09-18 — — 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-20040087491-A1 Electrophilic ketones for the treatment of herpesvirus infections KHK, HCK, PBK MAPK1 1447/4885SMN1; SMN2 3054/4885RXFP1 3931/4885
US-20030119721-A1 Electrophilic ketones for the treatment of herpesvirus infections KHK, HCK, PBK MAPK1 1447/4885SMN1; SMN2 3054/4885RXFP1 3931/4885

“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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