SCHEMBL8870715

SCHEMBL8870715

O=C1CCc2cc(S)ccc21

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CASP1 P29466 1/20 0.59
▸ CASP7 P55210 1/20 0.59
▸ HSD17B10 Q99714 1/20 0.59
▸ HSD17B1 P14061 4/20 0.52
▸ GRM5 P41594 2/20 0.49
▸ MAOB P27338 2/20 0.46
▸ MAOA P21397 1/20 0.46
▸ PRKCI P41743 1/20 0.46
▸ CYP1A2 P05177 1/20 0.45
▸ CYP11B1 P15538 1/20 0.45
▸ CYP11B2 P19099 1/20 0.45
▸ PBRM1 Q86U86 1/20 0.44
▸ HRH3 Q9Y5N1 3/20 0.41
▸ MKNK1 Q9BUB5 1/20 0.41
▸ PGR P06401 1/20 0.40
▸ BAZ2B Q9UIF8 1/20 0.38

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
SCHEMBL5858951 0.88 MAOA (0.61) CASP1CASP7HSD17B10HSD17B1GRM5
SCHEMBL7974509 0.85 CASP1 (0.44) CASP1CASP7HSD17B10HSD17B1GRM5
SCHEMBL8871212 0.83 PBRM1 (0.59) CASP1CASP7HSD17B10HSD17B1GRM5
SCHEMBL1045951 0.78 CASP1 (0.59) CASP1CASP7HSD17B10HSD17B1GRM5
SCHEMBL28655414 0.77 HSD17B1 (0.78) CASP1CASP7HSD17B10HSD17B1GRM5
SCHEMBL5538267 0.76 CASP1 (0.61) CASP1CASP7HSD17B10HSD17B1GRM5
SCHEMBL883774 0.74 CASP1 (0.59) CASP1CASP7HSD17B10HSD17B1GRM5
SCHEMBL192610 0.74 CASP1 (0.59) CASP1CASP7HSD17B10HSD17B1GRM5
SCHEMBL16082766 0.74 CASP1 (0.59) CASP1CASP7HSD17B10HSD17B1GRM5
SCHEMBL434358 0.74 CASP1 (1.00) CASP1CASP7HSD17B10HSD17B1GRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180193315-A1 SPIROCYCLIC HAT INHIBITORS AND METHODS FOR THEIR USE ABBVIE INC (US) 2018-07-12 — — US disclosed
US-20180071262-A1 SPIROCYCLIC HAT INHIBITORS AND METHODS FOR THEIR USE ABBVIE INC. (US) 2018-03-15 — — US disclosed
US-20160235716-A1 SPIROCYCLIC HAT INHIBITORS AND METHODS FOR THEIR USE ABBVIE INC. (US) 2016-08-18 — — US disclosed
WO-2016044770-A1 SPIROCYCLIC HAT INHIBITORS AND METHODS FOR THEIR USE ABBVIE INC. (US) 2016-03-24 — — WO disclosed
US-7220734-B2 1-(amino)indanes and (1,2-dihydro-3-amino)-benzofurans, benzothiophenes and indoles as Edg receptor agonists MERCK & CO., INC. (US) 2007-05-22 — — US disclosed
US-5607928-A Carbapenem derivatives containing a bicyclic ketone substituent and their use as anti-infectives ZENECA LIMITED (GB) 1997-03-04 — — US disclosed
EP-0695753-A1 Carbapenem derivatives containing a bicyclic substituent, process for their preparation, and their use ZENECA LIMITED (GB) 1996-02-07 — — EP 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 (3 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-20160235716-A1 SPIROCYCLIC HAT INHIBITORS AND METHODS FOR THEIR USE KAT2B, HDAC1, HDAC9 CASP1 3636/4885CASP7 2506/4885HSD17B10 508/4885
US-20180193315-A1 SPIROCYCLIC HAT INHIBITORS AND METHODS FOR THEIR USE KAT2B, HDAC1, KAT2A CASP1 3478/4885CASP7 2621/4885HSD17B10 417/4885
US-20180071262-A1 SPIROCYCLIC HAT INHIBITORS AND METHODS FOR THEIR USE KAT2B, HDAC1, HDAC9 CASP1 3636/4885CASP7 2506/4885HSD17B10 508/4885

“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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