SCHEMBL21499638

SCHEMBL21499638

CC(C)S(=O)(=O)c1nc2c(n1Cc1ccc(Cl)cc1)C(=O)N(Cc1ccno1)C(O)N2C

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TBXA2R P21731 2/20 0.33
▸ PTGS1 P23219 2/20 0.32
▸ PTGS2 P35354 2/20 0.32
▸ ENPP2 Q13822 1/20 0.31
▸ P2RX3 P56373 1/20 0.30
▸ PTGDR2 Q9Y5Y4 1/20 0.30
▸ ATM Q13315 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
SCHEMBL18834259 0.83 P2RX3 (0.39) P2RX3
SCHEMBL21316287 0.74 ALDH1A1 (0.35) PTGS1PTGS2P2RX3PTGDR2ATM
SCHEMBL19505259 0.73 P2RX3 (0.39) PTGS2P2RX3
SCHEMBL16027689 0.72 ATM (0.47) ATM
SCHEMBL18835112 0.70 P2RX3 (0.36) P2RX3
SCHEMBL21316299 0.69 TRPC5 (0.48) TBXA2RENPP2P2RX3
SCHEMBL19505127 0.68 MEN1 (0.35) P2RX3
SCHEMBL21316331 0.67 P2RX3 (0.45) P2RX3
SCHEMBL20432348 0.67 P2RX3 (0.40) P2RX3
SCHEMBL21316298 0.67 P2RX3 (0.46) P2RX3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230040259-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES, LLC (US) 2023-02-09 — — US disclosed
US-11208409-B2 Substituted xanthines and methods of use thereof HYDRA BIOSCIENCES, LLC (US) 2021-12-28 — — US disclosed
US-20190322667-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2019-10-24 — — 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 (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-20230040259-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF TRPC5, TRPC7, TRPC4 TBXA2R 875/4885PTGS1 2247/4885PTGS2 2769/4885
US-11208409-B2 Substituted xanthines and methods of use thereof TRPC5, TRPC7, TRPC4 TBXA2R 875/4885PTGS1 2247/4885PTGS2 2769/4885
US-20190322667-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF TRPC5, TRPC7, TRPC4 TBXA2R 875/4885PTGS1 2247/4885PTGS2 2769/4885

“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.

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