Sugi Predict

Sugi Predict / Compounds / SCHEMBL2421055

SCHEMBL2421055

SCHEMBL2421055

OC(c1ccco1)C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.47
▸ POLB P06746 2/20 0.47
▸ PKM P14618 1/20 0.47
▸ PTPN1 P18031 1/20 0.47
▸ PTPN7 P35236 1/20 0.47
▸ BLM P54132 1/20 0.47
▸ ESR2 Q92731 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ MEN1 O00255 4/20 0.42
▸ AGTR1 P30556 1/20 0.42
▸ HSD17B10 Q99714 3/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ ALOX5 P09917 1/20 0.35
▸ HPGD P15428 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ OPRM1 P35372 1/20 0.34

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
SCHEMBL5865844 0.86 KMT2A (0.47) KMT2APOLBPKMPTPN1PTPN7
SCHEMBL24361188 0.78 KMT2A (0.53) KMT2APOLBPKMPTPN1PTPN7
SCHEMBL1925252 0.77 KMT2A (0.47) KMT2APOLBPKMPTPN1PTPN7
SCHEMBL7118634 0.77 KMT2A (0.47) KMT2APOLBPKMPTPN1PTPN7
SCHEMBL9963469 0.77 KMT2A (0.38) KMT2APOLBPKMPTPN1PTPN7
SCHEMBL12572721 0.77 KMT2A (0.38) KMT2APOLBPKMPTPN1PTPN7
SCHEMBL8569568 0.76 KMT2A (0.40) KMT2APOLBPKMPTPN1PTPN7
SCHEMBL15272327 0.75 KMT2A (0.58) KMT2APOLBPKMPTPN1PTPN7
SCHEMBL15272598 0.75 KMT2A (0.58) KMT2APOLBPKMPTPN1PTPN7
SCHEMBL11151822 0.75 KMT2A (0.58) KMT2APOLBPKMPTPN1PTPN7

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 41 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9334253-B2 Direct trifluoromethylations using trifluoromethane UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2016-05-10 — — US claimed
WO-2012148772-A1 DIRECT TRIFLUOROMETHYLATIONS USING TRIFLUOROMETHANE UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2012-11-01 — — WO claimed
EP-2712367-B1 DIRECT TRIFLUOROMETHYLATIONS USING TRIFLUOROMETHANE UNIV SOUTHERN CALIFORNIA (US) 2018-09-26 — — EP disclosed
US-9334253-B2 Direct trifluoromethylations using trifluoromethane UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2016-05-10 — — US disclosed
US-9334253-B2 Direct trifluoromethylations using trifluoromethane UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2016-05-10 — — US disclosed
US-9334253-B2 Direct trifluoromethylations using trifluoromethane UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2016-05-10 — — US disclosed
EP-2374802-B1 KYNURENINE PRODUCTION INHIBITOR KYOWA HAKKO KIRIN CO LTD (JP) 2014-04-23 — — EP disclosed
US-8673908-B2 Kynurenine production inhibitor KYOWA HAKKO KIRIN CO., LTD. (JP) 2014-03-18 — — US disclosed
US-20140066640-A1 DIRECT TRIFLUOROMETHYLATIONS USING TRIFLUOROMETHANE UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2014-03-06 — — US disclosed
US-20140066640-A1 DIRECT TRIFLUOROMETHYLATIONS USING TRIFLUOROMETHANE UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2014-03-06 — — US disclosed
EP-1697354-B1 ISOTHIAZOLE DIOXIDES AS CXC- AND CC- CHEMOKINE RECEPTOR LIGANDS MERCK SHARP & DOHME (US) 2013-08-07 — — EP disclosed
US-20070264230-A1 Thiadiazoledioxides and thiadiazoleoxides as CXC- and CC-chemokine receptor ligands SCHERING CORPORATION 2007-11-15 — — US disclosed
US-20070264230-A1 Thiadiazoledioxides and thiadiazoleoxides as CXC- and CC-chemokine receptor ligands SCHERING CORPORATION 2007-11-15 — — US disclosed
EP-1818325-A2 3,4-DI-substituted cyclobutene-1,2-diones as CXC-chemokine receptor ligands SCHERING CORPORATION (US) 2007-08-15 — — EP disclosed
EP-1381590-B1 3,4-DI-SUBSTITUTED CYCLOBUTENE-1,2-DIONES AS CXC-CHEMOKINE RECEPTOR LIGANDS SCHERING CORP (US) 2007-06-20 — — EP disclosed
US-20070021494-A1 3,4-Di-substituted cyclobutene-1,2-diones as CXC-chemokine receptor ligands SCHERING CORPORATION AND PHARMACOPEIA, INC. 2007-01-25 — — US disclosed
US-20070021494-A1 3,4-Di-substituted cyclobutene-1,2-diones as CXC-chemokine receptor ligands SCHERING CORPORATION AND PHARMACOPEIA, INC. 2007-01-25 — — US disclosed
US-20030144541-A1 Process for preparing alpha-halogenated retones RHODIA CHIMIE (FR) 2003-07-31 — — US disclosed
EP-1250303-A1 METHOD FOR PREPARING ALPHA-HALOGENATED KETONES RHODIA CHIMIE (FR) 2002-10-23 — — EP disclosed
WO-2001055067-A1 METHOD FOR PREPARING ALPHA-HALOGENATED KETONES RHODIA CHIMIE (FR) 2001-08-02 — — 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 (4 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-20070021494-A1 3,4-Di-substituted cyclobutene-1,2-diones as CXC-chemokine receptor ligands CCR1, ACKR3, CXCR1 KMT2A 4745/4885POLB 2094/4885PKM 4657/4885
US-20070264230-A1 Thiadiazoledioxides and thiadiazoleoxides as CXC- and CC-chemokine receptor ligands CXCR1, CCR2, CX3CR1 KMT2A 4816/4885POLB 3557/4885PKM 4601/4885
US-20140066640-A1 DIRECT TRIFLUOROMETHYLATIONS USING TRIFLUOROMETHANE TST, FLI1, CYP2F1 KMT2A 791/4885POLB 3821/4885PKM 1498/4885
US-20030144541-A1 Process for preparing alpha-halogenated retones ADH1A, ADH1C, RER1 KMT2A 250/4885POLB 341/4885PKM 122/4885

“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.