SCHEMBL6716706

SCHEMBL6716706

O=C(Nc1ccc(I)cc1C(=O)C(F)(F)F)c1ccco1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 1/20 0.51
▸ SMN1; SMN2 Q16637 4/20 0.50
▸ MAPK1 P28482 2/20 0.49
▸ CYP1A2 P05177 2/20 0.49
▸ CYP2C19 P33261 2/20 0.49
▸ TSHR P16473 2/20 0.49
▸ HTT P42858 2/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ ALOX15 P16050 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ PKM P14618 1/20 0.49
▸ GFER P55789 1/20 0.49
▸ USP2 O75604 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ GAA P10253 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ MEN1 O00255 1/20 0.47

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
SCHEMBL6718796 0.87 RAB9A (0.55) RXFP1SMN1; SMN2MAPK1CYP1A2CYP2C19
SCHEMBL6717150 0.84 MAPK1 (0.64) RXFP1SMN1; SMN2MAPK1CYP1A2CYP2C19
SCHEMBL2803167 0.83 GFER (0.56) SMN1; SMN2MAPK1CYP1A2CYP2C19TSHR
SCHEMBL21701478 0.72 CYP1A2 (0.61) SMN1; SMN2MAPK1CYP1A2CYP2C19TSHR
SCHEMBL3407364 0.71 PTPN2 (0.75) SMN1; SMN2PKMGFERGAAKMT2A
SCHEMBL7122996 0.71 ALDH1A1 (0.68) SMN1; SMN2MAPK1CYP1A2CYP2C19TSHR
SCHEMBL8589705 0.70 RAB9A (0.50) RXFP1SMN1; SMN2MAPK1TSHRHTT
SCHEMBL7073482 0.70 CES1 (0.58) RXFP1SMN1; SMN2TSHRALDH1A1HPGD
SCHEMBL28634421 0.70 SMN1; SMN2 (0.66) RXFP1SMN1; SMN2MAPK1TSHRHTT
SCHEMBL6815137 0.69 GFER (0.71) SMN1; SMN2MAPK1CYP1A2CYP2C19TSHR

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 12 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
EP-0888322-A2 ELECTROPHILIC KETONES FOR THE TREATMENT OF HERPESVIRUS INFECTIONS G.D. SEARLE & CO. (US) 1999-01-07 — — EP disclosed
WO-1997034566-A2 ELECTROPHILIC KETONES FOR THE TREATMENT OF HERPESVIRUS INFECTIONS G.D. SEARLE & CO. (US) 1997-09-25 — — WO 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 RXFP1 3931/4885SMN1; SMN2 3054/4885MAPK1 1447/4885
US-20030119721-A1 Electrophilic ketones for the treatment of herpesvirus infections KHK, HCK, PBK RXFP1 3931/4885SMN1; SMN2 3054/4885MAPK1 1447/4885

“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.

Send feedback