SCHEMBL29340950

SCHEMBL29340950

CC(=O)Cc1c(O)cccc1C#N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.39
THRB P10828 1/20 0.38
IAPP P10997 1/20 0.38
GAA P10253 2/20 0.36
TSHR P16473 3/20 0.35
CXCR2 P25025 1/20 0.35
ALDH1A1 P00352 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
ELANE P08246 1/20 0.34
MAPK1 P28482 2/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
GALR3 O60755 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SLC22A12 Q96S37 1/20 0.33

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
Benzene SCHEMBL28227257 0.98 NOTUM (0.38) NOTUMTHRBIAPPGAATSHR
SCHEMBL28152937 0.82 ALDH1A1 (0.45) GAATSHRALDH1A1L3MBTL1CA12
SCHEMBL19289915 0.81 AKR1B1 (0.46) NOTUMGAAALDH1A1MAPK1SMN1; SMN2
SCHEMBL7882828 0.81 THRB (0.50) THRBIAPPGAAALDH1A1CA12
SCHEMBL29122112 0.80 NLRP3 (0.48) GAAALDH1A1L3MBTL1CA12CA1
SCHEMBL2138475 0.78 TSHR (0.39) NOTUMGAATSHRALDH1A1L3MBTL1
SCHEMBL12021691 0.74 TRPA1 (0.45) THRBIAPPGAATSHRALDH1A1
SCHEMBL28335601 0.74 CA1 (0.33) TSHRCXCR2CA1CA2
SCHEMBL8390992 0.74 KDM4E (0.45) THRBGAATSHRALDH1A1L3MBTL1
SCHEMBL23081360 0.74 CA1 (0.38) NOTUMGAATSHRCXCR2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240239752-A1 BICYCLIC HETEROAROMATIC INHIBITORS OF KLK5 WILMINGTON TRUST, NATIONAL ASSOCIATION 2024-07-18 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 (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-20240239752-A1 BICYCLIC HETEROAROMATIC INHIBITORS OF KLK5 KLK5, KLK1, KLKB1 NOTUM 71/4885THRB 4161/4885IAPP 4441/4885

“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.