SCHEMBL422330

SCHEMBL422330

O=C(O)c1cccc(C(F)(F)F)c1Cl

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.57
CTSS P25774 3/20 0.55
CTSK P43235 2/20 0.55
CLCN2 P51788 1/20 0.54
TAS2R14 Q9NYV8 2/20 0.50
P2RX7 Q99572 6/20 0.49
FABP4 P15090 1/20 0.49
PDK1 Q15118 1/20 0.48
PDK2 Q15119 1/20 0.48
PDK3 Q15120 1/20 0.48
PDK4 Q16654 1/20 0.48
MRGPRX4 Q96LA9 1/20 0.47
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.46
GRIK1 P39086 1/20 0.46
ALDH1A1 P00352 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45

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
Hydrochloric Acid SCHEMBL2990630 0.98 TSHR (0.55) TSHRCTSSCTSKCLCN2TAS2R14
SCHEMBL28311763 0.86 CTSS (0.55) CTSSCTSKP2RX7LMNAGAA
SCHEMBL16127683 0.85 CTSS (0.57) CTSSCTSKP2RX7LMNAGAA
SCHEMBL108509 0.85 CTSS (0.54) CTSSCTSKP2RX7LMNAGAA
SCHEMBL29542921 0.83 CTSS (0.57) CTSSCTSKP2RX7LMNAGAA
SCHEMBL324095 0.83 CTSS (0.57) CTSSCTSKP2RX7LMNAGAA
SCHEMBL9637140 0.83 CTSS (0.52) CTSSCTSKP2RX7LMNAGAA
SCHEMBL30562236 0.83 CTSS (0.56) CTSSCTSKTAS2R14P2RX7LMNA
SCHEMBL3185133 0.83 CTSS (0.52) CTSSCTSKCLCN2P2RX7LMNA
SCHEMBL9524633 0.83 CTSS (0.56) CTSSCTSKTAS2R14P2RX7LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3551633-B1 SUBSTITUTED PYRAZOLOAZEPIN-4-ONES AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS LEO PHARMA AS (DK) 2021-03-31 EP claimed
EP-3551633-A1 SUBSTITUTED PYRAZOLOAZEPIN-4-ONES AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS Leo Pharma A/S (DK) 2019-10-16 EP claimed
CN-110088108-A SUBSTITUTED PYRAZOLOAZEPIN-4-ONES AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS 利奥制药有限公司 2019-08-02 CN claimed
CN-110003200-A P2X7 regulator 詹森药业有限公司 2019-07-12 CN claimed
CN-105209464-B P2X7 modulators 詹森药业有限公司 2019-01-01 CN claimed
CN-106397433-B Three pyridinium hydroxide of 2- (2- pyridine) -6- (the chloro- 3- trifluoromethylbenzoyl of 2-) -5,7,8- simultaneously [4,3-d] pyrimidine and preparation method thereof 广东环境保护工程职业学院 2018-11-20 CN claimed
WO-2018108230-A1 SUBSTITUTED PYRAZOLOAZEPIN-4-ONES AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS LEO PHARMA A/S (DK) 2018-06-21 WO claimed
EP-2970267-B3 P2X7 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2018-05-30 EP claimed
EP-2970267-B1 P2X7 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2017-05-24 EP claimed
CN-106397433-A 2-(2-pyridine)-6-(2-chloro-3-trifluoromethylbenzoyl)-5,7,8-trihydropyrido [4,3-d] pyrimidine and preparation method thereof 广东环境保护工程职业学院 2017-02-15 CN claimed
US-12590087-B2 Inhibiting USP36 VALO HEALTH, INC. (US) 2026-03-31 US disclosed
US-12338243-B2 P2X7 modulators JANSSEN PHARMACEUTICA NV (BE) 2025-06-24 US disclosed
WO-2025057074-A1 N-ARYL BENZAMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS SUVEN LIFE SCIENCES LIMITED (IN) 2025-03-20 WO disclosed
US-12247027-B2 P2X7 modulators JANSSEN PHARMACEUTICA NV (BE) 2025-03-11 US disclosed
CN-114222574-B Inhibition of USP36 瓦洛健康股份有限公司 2024-12-17 CN disclosed
WO-2002070523-A1 MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY PFIZER PRODUCTS INC. (US) 2002-09-12 WO disclosed
CN-1087285-C Basic group substituted benzoyl guanidine, its preparing process, its use as medicine or diagnostic reagent, and medicine containing the same HOECHST AG (DE) 2002-07-10 CN disclosed
EP-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 WO disclosed
CN-1137035-A Basic group substituted benzoyl guanidine, its preparing process, its use as medicine or diagnostic reagent, and medicine containing the same HOECHST AG (DE) 1996-12-04 CN 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-12247027-B2 P2X7 modulators P2RX2, P2RX7, P2RY2 TSHR 2539/4885CTSS 2569/4885CTSK 1661/4885
US-12338243-B2 P2X7 modulators P2RX7, P2RX4, P2RX1 TSHR 2552/4885CTSS 2298/4885CTSK 1472/4885
US-12590087-B2 Inhibiting USP36 USP36, USP39, USP30 TSHR 871/4885CTSS 2261/4885CTSK 2409/4885

“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.