SCHEMBL778771

SCHEMBL778771

O=S(=O)(O)c1ccc(CCC(F)(F)F)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.43
TSHR P16473 3/20 0.42
ALDH1A1 P00352 1/20 0.42
NT5E P21589 1/20 0.42
CA2 P00918 11/20 0.40
CA1 P00915 7/20 0.40
F2 P00734 2/20 0.40
TMPRSS4 Q9NRS4 2/20 0.40
CA12 O43570 2/20 0.40
CA4 P22748 2/20 0.40
CA6 P23280 2/20 0.40
CA5A P35218 2/20 0.40
CA7 P43166 2/20 0.40
CA9 Q16790 2/20 0.40
CA14 Q9ULX7 2/20 0.40
CA5B Q9Y2D0 2/20 0.40
CYP2D6 P10635 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TP53 P04637 1/20 0.40
CYP1A2 P05177 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
SCHEMBL776683 0.89 LMNA (0.45) LMNATSHRALDH1A1NT5ECA2
SCHEMBL20164792 0.87 CA2 (0.45) LMNATSHRALDH1A1NT5ECA2
SCHEMBL775755 0.85 LMNA (0.41) LMNATSHRALDH1A1NT5ECA2
SCHEMBL21644984 0.84 CA2 (0.41) LMNATSHRALDH1A1NT5ECA2
SCHEMBL10377765 0.82 CA1 (0.41) LMNATSHRALDH1A1NT5ECA2
SCHEMBL8916745 0.82 CA2 (0.39) LMNATSHRALDH1A1NT5ECA2
SCHEMBL11583429 0.81 LMNA (0.56) LMNATSHRALDH1A1NT5ECA2
SCHEMBL658697 0.81 LMNA (0.43) LMNATSHRALDH1A1NT5ECA2
SCHEMBL1415343 0.81 F2 (0.40) TSHRALDH1A1CA2CA1F2
SCHEMBL776653 0.80 TSHR (0.50) LMNATSHRALDH1A1NT5ECA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110556509-A Method for performing surface protection and passivation treatment on metallic lithium cathode by using fluorine-containing organic matter, product and application NANJING UNIVERSITY OF TECHNOLOGY 2019-12-10 CN claimed
JP-60092260-A None JP disclosed
WO-2023085390-A1 LIQUID CRYSTAL ALIGNMENT AGENT, LIQUID CRYSTAL ALIGNMENT FILM, AND LIQUID CRYSTAL DISPLAY ELEMENT 日産化学株式会社 2023-05-19 WO disclosed
EP-3438108-B1 PHENYL [A]INDOLE[2,3-G]QUINOLIZINE COMPOUNDS, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION, AND APPLICATIONS THEREOF SHANGHAI INST MATERIA MEDICA CAS (CN) 2022-08-10 EP disclosed
CN-112299960-B Synthesis method and application of bis (2,2, 2-trifluoroethyl) ether 江苏蓝色星球环保科技股份有限公司 2022-03-29 CN disclosed
WO-2021249800-A1 SUBSTITUTED [1,2,4]TRIAZOLE COMPOUNDS AS FUNGICIDES BASF SE (DE) 2021-12-16 WO disclosed
CN-109071541-B Phenyl [ a ] indole [2,3-g ] quinolizine compound, preparation method thereof, pharmaceutical composition and application thereof 中国科学院上海药物研究所 2021-06-18 CN disclosed
US-10927107-B2 Phenyl [a]indole[2,3-g]quinolizine compounds, preparation method therefor, pharmaceutical composition, and applications thereof SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2021-02-23 US disclosed
CN-112299960-A Synthesis method and application of bis (2,2, 2-trifluoroethyl) ether 江苏蓝色星球环保科技股份有限公司 2021-02-02 CN disclosed
CN-109790145-B Dihydropyrimidine compound and preparation method and application thereof 四川科伦博泰生物医药股份有限公司 2020-09-22 CN disclosed
US-5747424-A HEATING AN AROMATIC DIKETONE WITH A SALT OF HYDROXYLAMINE IN A SOLVENT RHONE-POULENC AGRICULTURE LTD. (GB) 1998-05-05 US disclosed
US-5658858-A POSTEMERGENCE HERBICIDES RHONE-POULENC ARGRICULTURE LIMITED (GB) 1997-08-19 US disclosed
US-5656573-A Herbicidal 4-substituted isoxazoles RHONE-POULENC AGRICULTURE LTD. (GB) 1997-08-12 US disclosed
US-5650533-A Intermediates to herbicidal 4-substituted isoxazoles RHONE-POULENC AGRICULTURE LTD. (GB) 1997-07-22 US disclosed
EP-0734380-A1 4-BENZOYLISOXAZOLES AND THEIR USE AS HERBICIDES RHONE-POULENC AGRICULTURE LTD. (GB) 1996-10-02 EP disclosed
WO-1995016678-A1 4-BENZOYLISOXAZOLES AND THEIR USE AS HERBICIDES RHONE POULENC AGRICULTURE LIMITED (GB) 1995-06-22 WO disclosed
US-4754067-A REACTING A SYMETRICAL DIAMINOGUANIDINE WITH HYDROXYLAMINE HYDROCHLORIDE AMERICAN CYANAMID COMPANY (US) 1988-06-28 US disclosed
US-4649148-A Insecticidal uses of diaminoguanidine hydrazone compounds AMERICAN CYANAMID COMPANY (US) 1987-03-10 US disclosed
US-4575560-A ANTIFEEDING AGENTS AMERICAN CYANAMID COMPANY (US) 1986-03-11 US disclosed
JP-S6092260-A NOVEL BENZOYLUREA DERIVATIVE, ITS INTERMEDIATE, THEIR PREPARATION AND INSECTICIDE NIPPON TOKUSHU NOYAKU SEIZO KK 1985-05-23 JP 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 (1 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-10927107-B2 Phenyl [a]indole[2,3-g]quinolizine compounds, preparation method therefor, pharmaceutical composition, and applications thereof PCSK9, PCSK7, PCSK6 LMNA 474/4885TSHR 3140/4885ALDH1A1 2606/4885

“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.