SCHEMBL22189756

SCHEMBL22189756

Cc1ccc(S(=O)(=O)NC2C=CC=CN2CC(N)=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
F2 P00734 1/20 0.40
PRSS1 P07477 1/20 0.40
PRSS2 P07478 1/20 0.40
PRSS3 P35030 1/20 0.40
TSHR P16473 3/20 0.39
CYP3A4 P08684 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
MMP8 P22894 1/20 0.39
MMP13 P45452 1/20 0.39
POLB P06746 2/20 0.38
LMNA P02545 1/20 0.38
KMT2A Q03164 2/20 0.37
MAPT P10636 2/20 0.37
RAB9A P51151 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL22499169 0.83 ALDH1A1 (0.40) ALDH1A1F2PRSS1PRSS2PRSS3
SCHEMBL2921155 0.81 ALDH1A1 (0.38) ALDH1A1F2PRSS1PRSS2PRSS3
SCHEMBL5253685 0.81 ALDH1A1 (0.38) ALDH1A1F2PRSS1PRSS2PRSS3
SCHEMBL2745538 0.78 KMT2A (0.36) ALDH1A1F2PRSS1PRSS2PRSS3
SCHEMBL11478718 0.73 MMP13 (0.39) ALDH1A1TSHRCYP3A4CA1CA2
SCHEMBL13789513 0.69 CA1 (0.36) ALDH1A1F2PRSS1PRSS2PRSS3
SCHEMBL7467674 0.66 GAA (0.52) ALDH1A1F2PRSS1PRSS2PRSS3
SCHEMBL7467668 0.66 GAA (0.52) ALDH1A1F2PRSS1PRSS2PRSS3
SCHEMBL4859251 0.66 ALDH1A1 (0.61) ALDH1A1F2PRSS1PRSS2PRSS3
SCHEMBL30835344 0.65 ALDH1A1 (0.39) ALDH1A1F2PRSS1PRSS2PRSS3

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-11370769-B2 TRPC5 inhibitors and methods of using same BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) 2022-06-28 US disclosed
US-20200216411-A1 TRPC5 INHIBITORS AND METHODS OF USING SAME THE BRIGHAM AND WOMEN'S HOSPITAL, INC. 2020-07-09 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 (2 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-20200216411-A1 TRPC5 INHIBITORS AND METHODS OF USING SAME TRPC5, TRPC1, TRPC7 ALDH1A1 4011/4885F2 4877/4885PRSS1 149/4885
US-11370769-B2 TRPC5 inhibitors and methods of using same TRPC5, TRPC1, TRPC7 ALDH1A1 4011/4885F2 4877/4885PRSS1 149/4885

“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.