SCHEMBL40355

SCHEMBL40355

Cc1c2ccocc-2c(=O)cc1C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.35
ERN1 O75460 1/20 0.35
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CYP1A1 P04798 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP1B1 Q16678 1/20 0.31
TMPRSS4 Q9NRS4 1/20 0.30
AR P10275 1/20 0.30

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
SCHEMBL27470302 0.81 ERN1 (0.35) ERN1AR
SCHEMBL3285717 0.77
SCHEMBL27898096 0.76 ERN1 (0.33) ERN1
SCHEMBL1695206 0.74 ALDH1A1 (0.32) ERN1ALDH1A1HPGD
SCHEMBL21354550 0.74 TRPA1 (0.33) NOTUMERN1HPGDTMPRSS4
SCHEMBL28013945 0.72 ERN1 (0.34) ERN1
SCHEMBL28982574 0.71 ERN1 (0.36) ERN1
SCHEMBL27547231 0.67 NPBWR1 (0.37) NOTUMERN1CYP1A1CYP1A2CYP1B1
SCHEMBL28292351 0.66 ERN1 (0.35) ERN1
SCHEMBL22084379 0.62 ERN1 (0.41) ERN1ALDH1A1HPGDHSD17B10CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3068405-B1 PYRROLO [1,2,F][1,2,4]TRIAZINES USEFUL FOR TREATING RESPIRATORY SYNCITIAL VIRUS INFECTIONS GILEAD SCIENCES INC (US) 2019-05-01 EP claimed
US-9714560-B2 Protected scale inhibitors and methods relating thereto HALLIBURTON ENERGY SERVICES, INC. (US) 2017-07-25 US claimed
US-9493469-B2 Piperidine inhibitors of Janus kinase 3 AUSPEX PHARMACEUTICALS, INC. (US) 2016-11-15 US claimed
EP-2727915-A1 Synthesis of deuterated catechols and benzo[d][1,3]dioxoles and derivatives thereof Concert Pharmaceuticals Inc. (US) 2014-05-07 EP claimed
US-11999757-B2 Synthesis of boronate ester derivatives and uses thereof MELINTA SUBSIDIARY CORP. (US) 2024-06-04 US disclosed
US-20240148885-A1 TARGETED BIFUNCTIONAL DEGRADERS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2024-05-09 US disclosed
EP-4356736-A2 SYNTHESIS OF BORONATE SALTS Melinta Therapeutics, Inc. (US) 2024-04-24 EP disclosed
EP-3604316-B1 SYNTHESIS OF BORONATE SALTS MELINTA THERAPEUTICS INC (US) 2023-12-06 EP disclosed
WO-2023129737-A1 GLYCOMIMETIC LIGANDS AVICEDA THERAPEUTICS, INC. (US) 2023-07-06 WO disclosed
US-20230210808-A1 4-(PHENOXYALKYL)THIO)-PHENOXYACETIC ACIDS AND ANALOGS CYMABAY THERAPEUTICS, INC. 2023-07-06 US disclosed
EP-4149949-A1 BORONIC ACID DERIVATIVES AND SYNTHESIS, POLYMORPHIC FORMS, AND THERAPEUTIC USES THEREOF QPEX BIOPHARMA, INC. (US) 2023-03-22 EP disclosed
EP-4122932-A1 PYRROLO[1,2-F][1,2,4]TRIAZINES USEFUL FOR TREATING RESPIRATORY SYNCITIAL VIRUS INFECTIONS Gilead Sciences, Inc. (US) 2023-01-25 EP disclosed
WO-1997049723-A1 CATIONIC LIPIDS FOR DELIVERY OF NUCLEIC ACID TO CELLS GILEAD SCIENCES, INC. (US) 1997-12-31 WO disclosed
US-5693771-A REACTING PROTECTED PYRAN COMPOUND WITH PHOSPHITE AND HETEROCYCLIC BASE GILEAD SCIENCES, INC. (US) 1997-12-02 US disclosed
EP-0807118-A2 NOVEL COMPOUNDS AND METHODS FOR MAKING AND USING SAME GILEAD SCIENCES, INC. (US) 1997-11-19 EP disclosed
US-5659023-A HETEROCYCLIC FURANOSYL OR PYRANOSYL PHOSPHONATE; IMMUNOGENS, OLIGONUCLEOTIDES, ANTIINFECTIVES, ANTIINFLAMMATORY AGENTS GILEAD SCIENCES, INC. (US) 1997-08-19 US disclosed
EP-0759917-A1 NOVEL SELECTIVE INHIBITORS OF VIRAL OR BACTERIAL NEURAMINIDASES GILEAD SCIENCES, INC. (US) 1997-03-05 EP disclosed
WO-1996026933-A9 NOVEL SELECTIVE INHIBITORS OF VIRAL OR BACTERIAL NEURAMINIDASES 1996-11-28 WO disclosed
WO-1996033200-A1 NOVEL COMPOUNDS AND METHODS FOR THERAPY ÚSTAV ORGANICKÉ CHEMIE A BIOCHEMIE AKADEMIE VED C^¿ESKÉ REPUBLIKY (CZ) 1996-10-24 WO disclosed
WO-1996023801-A2 NOVEL COMPOUNDS AND METHODS FOR MAKING AND USING SAME GILEAD SCIENCES, INC. (US) 1996-08-08 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 (3 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-20230210808-A1 4-(PHENOXYALKYL)THIO)-PHENOXYACETIC ACIDS AND ANALOGS PPARA, PPARG, PPARD NOTUM 1438/4885ERN1 3489/4885ALDH1A1 1562/4885
US-11999757-B2 Synthesis of boronate ester derivatives and uses thereof ADH5, ADH1A, ADH7 NOTUM 138/4885ERN1 1035/4885ALDH1A1 69/4885
US-20240148885-A1 TARGETED BIFUNCTIONAL DEGRADERS PSEN2, MDM2, UCHL1 NOTUM 4051/4885ERN1 1756/4885ALDH1A1 2522/4885

“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.