SCHEMBL3174226

SCHEMBL3174226

COc1cc2c(cc1S(N)(=O)=O)CCCN(Cc1ccccc1)C2

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
REV1 Q9UBZ9 1/20 0.53
TMEM97 Q5BJF2 1/20 0.53
SIGMAR1 Q99720 1/20 0.53
ABCB1 P08183 10/20 0.52
CA2 P00918 2/20 0.50
CA9 Q16790 2/20 0.50
KMT2A Q03164 1/20 0.49
HRH3 Q9Y5N1 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
ABCC1 P33527 2/20 0.47
ABCG2 Q9UNQ0 2/20 0.47
KDM4E B2RXH2 1/20 0.47
TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL3061675 0.93 REV1 (0.61) REV1ABCB1CA2CA9KMT2A
SCHEMBL3041835 0.84 KDM4E (0.53) REV1TMEM97ABCB1CA2CA9
SCHEMBL3049199 0.84 REV1 (0.53) REV1TMEM97SIGMAR1ABCB1CA2
SCHEMBL3048961 0.83 ABCB1 (0.69) REV1ABCB1CA2CA9KMT2A
SCHEMBL3059191 0.83 KDM4E (0.54) REV1ABCB1CA2CA9KMT2A
SCHEMBL3042196 0.83 DHCR7 (0.58) REV1TMEM97SIGMAR1ABCB1CA2
SCHEMBL3060196 0.83 KDM4E (0.54) REV1ABCB1CA2CA9KMT2A
SCHEMBL3174390 0.83 CA2 (0.63) REV1TMEM97SIGMAR1ABCB1CA2
SCHEMBL3062059 0.83 PDE4B (0.61) REV1ABCB1CA2CA9KMT2A
SCHEMBL3054744 0.82 KMT2A (0.57) REV1ABCB1CA2CA9KMT2A

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-8394825-B2 Compound STERIX LIMITED (GB) 2013-03-12 US disclosed
US-20100222299-A1 COMPOUND STERIX LIMITED (GB) 2010-09-02 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-20100222299-A1 COMPOUND MKI67, VHL, MYC REV1 1520/4885TMEM97 3497/4885SIGMAR1 4163/4885

“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.