SCHEMBL16708654

SCHEMBL16708654

CC(C)Nc1csc(C(=O)C(C)C)n1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HCAR3 P49019 1/20 0.36
▸ MAPK1 P28482 1/20 0.33
▸ GRM5 P41594 2/20 0.32
▸ GRM1 Q13255 1/20 0.32
▸ TYR P14679 1/20 0.31
▸ TRPM8 Q7Z2W7 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30
▸ PRKD1 Q15139 1/20 0.30
▸ PRKD2 Q9BZL6 1/20 0.30
▸ CCNA2 P20248 1/20 0.30
▸ CDK2 P24941 1/20 0.30

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
SCHEMBL12674314 0.84 GRM5 (0.31) GRM5
SCHEMBL19538589 0.80 HCAR3 (0.34) HCAR3GRM5GRM1ALDH1A1
SCHEMBL6840492 0.74 HSD17B10 (0.43) ALDH1A1HPGDHSD17B10
SCHEMBL19287187 0.72 CYP1A2 (0.38) HCAR3GRM5GRM1ALDH1A1HPGD
SCHEMBL11964576 0.71 KDM1A (0.41) ALDH1A1
SCHEMBL13044094 0.70 ATAD2 (0.41) MAPK1ALDH1A1HPGDHSD17B10
SCHEMBL12840678 0.70 KMT2A (0.34) HCAR3GRM5GRM1ALDH1A1HPGD
SCHEMBL9927079 0.69 CTSK (0.44) HPGD
SCHEMBL14099757 0.69 L3MBTL1 (0.44) MAPK1TYRCCNA2CDK2
SCHEMBL18739478 0.68 KMT2A (0.33) HCAR3GRM5GRM1ALDH1A1HPGD

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-9822147-B2 Methods of treating ophthalmic diseases using NPR-B agonists SHIRE ORPHAN THERAPIES GMBH (DE) 2017-11-21 — — US disclosed
US-20170101440-A1 METHODS OF TREATING OPHTHALMIC DISEASES USING NPR-B AGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-04-13 — — US disclosed
US-9376440-B2 Pyrrolobenzodiazepines as antiproliferative agents MEDIMMUNE LIMITED (GB) 2016-06-28 — — US disclosed
US-20150133435-A1 PYRROLOBENZODIAZEPINES MEDIMMUNE LIMITED (GB) 2015-05-14 — — 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-20170101440-A1 METHODS OF TREATING OPHTHALMIC DISEASES USING NPR-B AGONISTS NPR1, EDNRB, NPR3 HCAR3 121/4885MAPK1 1766/4885GRM5 609/4885
US-20150133435-A1 PYRROLOBENZODIAZEPINES MBD2, DDB1, PDCD1 HCAR3 2037/4885MAPK1 3035/4885GRM5 1239/4885

“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.

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