SCHEMBL19002540

SCHEMBL19002540

CCC(=O)NCCc1cccc(O)c1

nearest known ligand 0.71

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SPR P35270 1/20 0.71
MTNR1A P48039 2/20 0.68
MTNR1B P49286 2/20 0.68
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA7 P43166 1/20 0.52
CA9 Q16790 1/20 0.52
CA14 Q9ULX7 1/20 0.52
HDAC6 Q9UBN7 1/20 0.50
PTGER1 P34995 1/20 0.49

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
SCHEMBL26079448 0.84 MTNR1A (0.68) MTNR1AMTNR1BHDAC6
SCHEMBL9215928 0.84 SPR (0.67) SPRMTNR1AMTNR1BCA1CA2
SCHEMBL5632567 0.83 SPR (0.66) SPRMTNR1AMTNR1BCA1CA2
SCHEMBL934634 0.83 CYP3A4 (0.53) SPRMTNR1AMTNR1B
SCHEMBL19002545 0.83 SPR (0.66) SPRMTNR1AMTNR1BCA1CA2
SCHEMBL12720969 0.83 SPR (1.00) SPRMTNR1AMTNR1BCA1CA2
SCHEMBL21776338 0.83 SPR (0.66) SPRMTNR1AMTNR1BCA1CA2
SCHEMBL31173308 0.83 MTNR1A (0.67) MTNR1AMTNR1B
SCHEMBL14241863 0.83 MTNR1A (0.67) SPRMTNR1AMTNR1B
SCHEMBL14241870 0.83 ALDH1A1 (0.71) MTNR1AMTNR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3394056-B1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE SHY Therapeutics LLC (US) 2021-04-14 EP disclosed
WO-2017112777-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE SHY Therapeutics LLC (US) 2017-06-29 WO disclosed
US-20170174699-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE SHY Therapeutics LLC 2017-06-22 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-20170174699-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE MAPK6, MAP3K6, MAPK4 SPR 3639/4885MTNR1A 1704/4885MTNR1B 1599/4885

“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.