SCHEMBL15423145

SCHEMBL15423145

CCOC(=O)NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(C)cc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 6/20 0.70
ALOX5 P09917 3/20 0.70
PTGS2 P35354 8/20 0.64
CYP2C9 P11712 3/20 0.64
HDAC3 O15379 6/20 0.62
HDAC1 Q13547 6/20 0.62
HDAC2 Q92769 6/20 0.62
HDAC8 Q9BY41 6/20 0.62
HDAC6 Q9UBN7 6/20 0.62
HDAC4 P56524 3/20 0.62
HDAC7 Q8WUI4 3/20 0.62
HDAC10 Q969S8 3/20 0.62
HDAC11 Q96DB2 3/20 0.62
HDAC9 Q9UKV0 3/20 0.62
HDAC5 Q9UQL6 3/20 0.62
PDPK1 O15530 3/20 0.62
PTGES O14684 1/20 0.62
CA12 O43570 1/20 0.62
PDE5A O76074 1/20 0.62
ABCB11 O95342 1/20 0.62

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
SCHEMBL15423098 0.89 PTGS1 (0.59) PTGS1ALOX5PTGS2CYP2C9HDAC3
SCHEMBL5798468 0.88 PTGS2 (0.64) PTGS1ALOX5PTGS2CYP2C9HDAC3
SCHEMBL6251010 0.88 HDAC3 (0.68) PTGS1ALOX5PTGS2CYP2C9HDAC3
SCHEMBL5920875 0.88 PTGS2 (0.71) PTGS1ALOX5PTGS2CYP2C9HDAC3
SCHEMBL24479063 0.87 PTGS2 (0.62) PTGS1ALOX5PTGS2CYP2C9HDAC3
SCHEMBL16904006 0.87 PTGS2 (0.57) PTGS1ALOX5PTGS2CYP2C9HDAC3
SCHEMBL15423105 0.87 PTGS1 (0.56) PTGS1ALOX5PTGS2CYP2C9HDAC3
SCHEMBL15423108 0.87 PTGS1 (0.56) PTGS1ALOX5PTGS2CYP2C9HDAC3
SCHEMBL5073564 0.87 PTGS2 (0.70) PTGS1ALOX5PTGS2CYP2C9HDAC3
SCHEMBL15424720 0.86 PTGS1 (0.56) PTGS1ALOX5PTGS2CYP2C9HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11253600-B2 Bioorthogonal compositions TAMBO, INC. (US) 2022-02-22 US disclosed
US-20210128733-A1 BIOORTHOGONAL COMPOSITIONS THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK 2021-05-06 US disclosed
US-8859781-B2 No-releasing nonoate(nitrogen-bound)sulfonamide-linked-coxib anti-cancer agents Euclises Pharmaceuticals, Inc. (US) 2014-10-14 US disclosed
US-20140018544-A1 NO-RELEASING NONOATE(NITROGEN-BOUND)SULFONAMIDE-LINKED-COXIB ANTI-CANCER AGENTS Euclises Pharmaceuticals, Inc. 2014-01-16 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-20140018544-A1 NO-RELEASING NONOATE(NITROGEN-BOUND)SULFONAMIDE-LINKED-COXIB ANTI-CANCER AGENTS NOS1, NOS2, PTGS1 PTGS1 3/4885ALOX5 111/4885PTGS2 10/4885
US-20210128733-A1 BIOORTHOGONAL COMPOSITIONS TIE1, BBOX1, ST14 PTGS1 618/4885ALOX5 83/4885PTGS2 570/4885
US-11253600-B2 Bioorthogonal compositions TIE1, BBOX1, ST14 PTGS1 618/4885ALOX5 83/4885PTGS2 570/4885

“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.