SCHEMBL24369658

SCHEMBL24369658

NCc1cc(NS(=O)(=O)C(F)F)ccn1

nearest known ligand 0.32

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PRKCI P41743 1/20 0.32
▸ ADRA2C P18825 1/20 0.31
▸ ADRA1A P35348 1/20 0.31
▸ ADRA1B P35368 1/20 0.31
▸ LOXL2 Q9Y4K0 1/20 0.31
▸ HTR6 P50406 1/20 0.31
▸ CYP3A4 P08684 1/20 0.30
▸ CYP2D6 P10635 1/20 0.30
▸ PSEN1 P49768 1/20 0.30
▸ PSEN2 P49810 1/20 0.30
▸ APH1B Q8WW43 1/20 0.30
▸ NCSTN Q92542 1/20 0.30
▸ APH1A Q96BI3 1/20 0.30
▸ PSENEN Q9NZ42 1/20 0.30
▸ IKBKB O14920 1/20 0.30
▸ CHUK O15111 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
SCHEMBL29488816 1.00 PRKCI (0.32) PRKCIADRA2CADRA1AADRA1BLOXL2
SCHEMBL24369575 0.80 CA2 (0.48) —
SCHEMBL29489035 0.80 CA2 (0.48) —
SCHEMBL25099306 0.80 HASPIN (0.43) ADRA2CADRA1AADRA1BCYP3A4CYP2D6
SCHEMBL24369142 0.75 PRMT6 (0.46) —
SCHEMBL29488857 0.73 HDAC6 (0.37) —
SCHEMBL24369659 0.73 HDAC6 (0.37) —
SCHEMBL24369059 0.72 HTR6 (0.59) LOXL2HTR6
SCHEMBL25847422 0.71 PRKCI (0.44) PRKCICYP3A4CYP2D6PSEN1PSEN2
SCHEMBL17501458 0.70 CA2 (0.42) LOXL2HTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230077316-A1 CTPS1 INHIBITORS AND USES THEREOF NIMBUS DISCOVERY, INC. 2023-03-09 — — US disclosed
WO-2022087634-A1 CTPS1 INHIBITORS AND USES THEREOF NIMBUS CLOTHO, INC. (US) 2022-04-28 — — 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 (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-20230077316-A1 CTPS1 INHIBITORS AND USES THEREOF CTPS1, CTPS2, ECHS1 PRKCI 869/4885ADRA2C 4322/4885ADRA1A 4092/4885

“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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