Sugi Predict

Sugi Predict / Compounds / SCHEMBL4594768

SCHEMBL4594768

SCHEMBL4594768

N#Cc1cc(C(F)(F)F)ccc1O

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 11/20 0.47
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ PTPN1 P18031 1/20 0.43
▸ PTPN6 P29350 1/20 0.43
▸ PTPN11 Q06124 1/20 0.43
▸ KIF11 P52732 2/20 0.42
▸ TAS2R14 Q9NYV8 1/20 0.42
▸ NQO2 P16083 1/20 0.42
▸ PGR P06401 1/20 0.41
▸ TMPRSS4 Q9NRS4 1/20 0.40

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
SCHEMBL29546917 0.81 AR (0.52) ARPTPN1PTPN6PTPN11KIF11
SCHEMBL12151755 0.81 AR (0.52) ARPTPN1PTPN6PTPN11KIF11
SCHEMBL12024842 0.80 ALDH1A1 (0.57) ARMEN1KMT2AKIF11
SCHEMBL8134473 0.79 HTR3E (0.46) ARMEN1KMT2A
SCHEMBL8134475 0.79 HTR3E (0.46) ARMEN1KMT2A
SCHEMBL283060 0.78 TRPV4 (0.45) ARPTPN1PTPN6PTPN11KIF11
SCHEMBL1996176 0.78 AR (0.53) ARKIF11
SCHEMBL153913 0.76 AR (0.43) ARPTPN1PTPN6PTPN11KIF11
SCHEMBL7817776 0.76 AR (0.43) ARPTPN1PTPN6PTPN11KIF11
SCHEMBL384969 0.76 AR (0.47) ARPTPN1PTPN6PTPN11KIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0103918-B1 PESTICIDAL BENZOYLUREA COMPOUNDS SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1987-07-29 — — EP claimed
US-20240408093-A1 HETEROBIFUNCTIONAL COMPOUNDS AND THEIR USE IN TREATING DISEASE HALDA THERAPEUTICS OPCO, INC. 2024-12-12 — — US disclosed
US-20240199587-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2024-06-20 — — US disclosed
CN-118119625-A Pyrimidine-2 (1H) -keto bicyclic compounds with MAT2A inhibitory activity and application thereof 上海海和药物研究开发股份有限公司 2024-05-31 — — CN disclosed
US-20240109899-A1 BENZOFURAN COMPOUNDS AS STING AGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2024-04-04 — — US disclosed
WO-2023116390-A1 PYRIMIDINE-2(1H)-ONE-FUSED BICYCLIC COMPOUND HAVING MAT2A INHIBITORY ACTIVITY AND USE THEREOF 上海海和药物研究开发股份有限公司 2023-06-29 — — WO disclosed
WO-2023116390-A1 PYRIMIDINE-2(1H)-ONE-FUSED BICYCLIC COMPOUND HAVING MAT2A INHIBITORY ACTIVITY AND USE THEREOF 上海海和药物研究开发股份有限公司 2023-06-29 — — WO disclosed
CN-116332947-A Pyrimidine-2 (1H) -keto bicyclic compounds with MAT2A inhibitory activity and application thereof 上海海和药物研究开发股份有限公司 2023-06-27 — — CN disclosed
WO-2023059609-A1 HETEROBIFUNCTIONAL COMPOUNDS AND THEIR USE IN TREATING DISEASE HALDA THERAPEUTICS OPCO, INC. (US) 2023-04-13 — — WO disclosed
WO-2022169921-A1 BENZOFURAN COMPOUNDS AS STING AGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2022-08-11 — — WO disclosed
US-20050131019-A1 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) ABBVIE INC. 2005-06-16 — — US disclosed
WO-2005023762-A1 PYRROLIDINE-2-CARBONITRILE DERIVATIVES AND THEIR USE AS INHIBITORS OF DIPEPTIDYL PEPTIDASE-IV (DPP-IV) ABBOTT LABORATORIES (US) 2005-03-17 — — WO disclosed
US-20040092754-A1 Derivatives of 4-(trifluoromethyl)-phenol and 4-(trifluoromethylphenyl)-2-(tetrahydropyranyl) ether and method for producing the same BASF AKTIENGESELLSCHAFT (DE) 2004-05-13 — — US disclosed
EP-1309531-A1 DERIVATIVES OF 4-(TRIFLUOROMETHYL)-PHENOL AND 4-(TRIFLUOROMETHYLPHENYL)-2-(TETRAHYDROPYRANYL) ETHER AND METHOD FOR PRODUCING THE SAME BASF AKTIENGESELLSCHAFT (DE) 2003-05-14 — — EP disclosed
WO-2002014250-A1 DERIVATIVES OF 4-(TRIFLUOROMETHYL)-PHENOL AND 4-(TRIFLUOROMETHYLPHENYL)-2-(TETRAHYDROPYRANYL) ETHER AND METHOD FOR PRODUCING THE SAME BASF AKTIENGESELLSCHAFT (DE) 2002-02-21 — — WO disclosed
US-5270308-A Hypotensives TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-12-14 — — US disclosed
EP-0477789-A1 1,3-Benzoxazine derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1992-04-01 — — EP disclosed
EP-0103918-B1 PESTICIDAL BENZOYLUREA COMPOUNDS SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1987-07-29 — — EP disclosed
US-4517193-A INSECTICIDES, MITICIDES SHELL OIL COMPANY (US) 1985-05-14 — — US disclosed
EP-0103918-A2 Pesticidal benzoylurea compounds SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1984-03-28 — — 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 (5 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-20050131019-A1 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) DPP4, DPP3, DPP7 AR 4176/4885MEN1 2747/4885KMT2A 3899/4885
US-20240199587-A1 HETEROCYCLIC COMPOUNDS CYP1B1, CYP1A1, CYP4B1 AR 736/4885MEN1 176/4885KMT2A 2713/4885
US-20040092754-A1 Derivatives of 4-(trifluoromethyl)-phenol and 4-(trifluoromethylphenyl)-2-(tetrahydropyranyl) ether and method for producing the same EPX, CYP4X1, EPHX2 AR 844/4885MEN1 4230/4885KMT2A 898/4885
US-20240408093-A1 HETEROBIFUNCTIONAL COMPOUNDS AND THEIR USE IN TREATING DISEASE FGFR3, FGFR1, ERBB3 AR 333/4885MEN1 3687/4885KMT2A 1519/4885
US-20240109899-A1 BENZOFURAN COMPOUNDS AS STING AGONISTS STING1, MAVS, IRF3 AR 790/4885MEN1 2677/4885KMT2A 4177/4885

“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.