SCHEMBL403102

SCHEMBL403102

O=C(O)c1ccc(OC(F)(F)F)c(Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 2/20 0.53
TSHR P16473 1/20 0.53
MRGPRX4 Q96LA9 7/20 0.49
TTR P02766 2/20 0.49
PYGL P06737 1/20 0.48
RXRA P19793 1/20 0.47
RXRB P28702 1/20 0.47
RXRG P48443 1/20 0.47
LMNA P02545 1/20 0.45
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.45
RAB9A P51151 1/20 0.45
PDK1 Q15118 1/20 0.44
PDK2 Q15119 1/20 0.44
PDK3 Q15120 1/20 0.44
PDK4 Q16654 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA4 P22748 1/20 0.44

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
SCHEMBL24959789 0.86 KMO (0.47) KMOMRGPRX4
SCHEMBL4283750 0.86 TSHR (0.53) KMOTSHRMRGPRX4TTRPYGL
SCHEMBL9526138 0.86 KMO (0.47) KMOMRGPRX4
SCHEMBL1109099 0.85 SLC6A2 (0.48) KMOMRGPRX4ALPL
SCHEMBL9526240 0.85 ESRRA (0.50) KMOMRGPRX4
SCHEMBL3367612 0.84 RXRA (0.54) TSHRMRGPRX4TTRPYGLRXRA
Hydrochloric Acid SCHEMBL11862687 0.83 TSHR (0.53) TSHRMRGPRX4TTRRXRARXRB
SCHEMBL15543397 0.82 SCN9A (0.47) KMOMRGPRX4TTRPYGL
SCHEMBL9145702 0.82 TTR (0.46) KMOTSHRMRGPRX4TTRRXRA
SCHEMBL9578550 0.82 TTR (0.46) KMOTSHRMRGPRX4TTRRXRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115340536-B Amide compound containing 1,2, 4-oxadiazole and salt, preparation method and application thereof 华东理工大学 2024-12-10 CN disclosed
EP-3774800-B1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICALS CO (JP) 2024-11-13 EP disclosed
US-11702419-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-07-18 US disclosed
WO-2023288253-A1 SMALL MOLECULES INHIBITORS OF CYCLIC GMP-AMP SYNTHASE (CGAS) THE SCRIPPS RESEARCH INSTITUTE (US) 2023-01-19 WO disclosed
CN-115340536-A Amide compound containing 1,2, 4-oxadiazole and salt thereof, preparation method and application 华东理工大学 2022-11-15 CN disclosed
US-20210332053-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-10-28 US disclosed
EP-3774800-A1 HETEROCYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2021-02-17 EP disclosed
CN-111936495-A Heterocyclic compounds and their use 武田药品工业株式会社 2020-11-13 CN disclosed
US-10807987-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-10-20 US disclosed
CN-107428683-B Heterocyclic substituted N-sulfonyl benzamide derivative, preparation method and medical application thereof 上海海雁医药科技有限公司 2020-06-02 CN disclosed
WO-2003087045-A1 NOVEL METHOXYBENZAMIDE COMPOUNDS FOR USE IN MCH RECEPTOR RELATED DISORDERS 7TM PHARMA A/S (DK) 2003-10-23 WO disclosed
US-20020045551-A1 4-benzoyl isoxazoles derivatives and their use as herbicides MUSIL TIBOR (GB) 2002-04-18 US disclosed
US-6323155-B1 EXCELLENT LEVEL OF HERBICIDAL ACTIVITY TOGETHER WITH CROP TOLERANCE RHONE-POULENC AGRICULTURE LIMITED (GB) 2001-11-27 US disclosed
EP-0743938-B1 SUBSTITUTED SPIRO COMPOUNDS FOR THE TREATMENT OF INFLAMMATION SEARLE & CO (US) 1999-04-21 EP disclosed
EP-0674629-B1 4-BENZOYL ISOXAZOLES DERIVATIVES AND THEIR USE AS HERBICIDES RHONE POULENC AGRICULTURE (GB) 1998-07-08 EP disclosed
EP-0743938-A1 SUBSTITUTED SPIRO COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-11-27 EP disclosed
EP-0674629-A1 4-BENZOYL ISOXAZOLES DERIVATIVES AND THEIR USE AS HERBICIDES RHONE-POULENC AGRICULTURE LTD. (GB) 1995-10-04 EP disclosed
WO-1995021817-A1 SUBSTITUTED SPIRO COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1995-08-17 WO disclosed
WO-1994014782-A1 4-BENZOYL ISOXAZOLES DERIVATIVES AND THEIR USE AS HERBICIDES RHONE-POULENC AGRICULTURE LTD. (GB) 1994-07-07 WO disclosed
US-4914123-A Acyloxythiophene derivatives BAYER AKTIENGESELLSCHAFT (DE) 1990-04-03 US 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-10807987-B2 Heterocyclic compound and use thereof GRIN2B, GRIN2A, GRIN2C KMO 552/4885TSHR 3089/4885MRGPRX4 641/4885
US-20020045551-A1 4-benzoyl isoxazoles derivatives and their use as herbicides CBR3, CBR1, GLRA3 KMO 1498/4885TSHR 174/4885MRGPRX4 992/4885
US-20210332053-A1 HETEROCYCLIC COMPOUND AND USE THEREOF GRIN2B, GRIN2A, GRIN2C KMO 552/4885TSHR 3089/4885MRGPRX4 641/4885
US-11702419-B2 Heterocyclic compound and use thereof GRIN2B, GRIN2A, GRIN2C KMO 552/4885TSHR 3089/4885MRGPRX4 641/4885

“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.