SCHEMBL172650

SCHEMBL172650

CCC[C@H](C)COCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.50
CA1 P00915 4/20 0.47
CA2 P00918 2/20 0.47
CA7 P43166 2/20 0.47
CA9 Q16790 2/20 0.47
TACR1 P25103 3/20 0.46
KMT2A Q03164 1/20 0.45
HTT P42858 1/20 0.41
SLC1A1 P43005 1/20 0.41

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
SCHEMBL29516747 1.00 TSHR (0.50) TSHRCA1CA2CA7CA9
SCHEMBL13464527 1.00 TSHR (0.50) TSHRCA1CA2CA7CA9
SCHEMBL18606773 0.88 TSHR (0.45) TSHRCA1CA2CA7CA9
SCHEMBL4552958 0.88 TSHR (0.45) TSHRCA1CA2CA7CA9
SCHEMBL14453899 0.86 TSHR (0.61) TSHRCA1CA2CA7CA9
SCHEMBL10127440 0.85 TSHR (0.50) TSHRCA1CA2CA7CA9
SCHEMBL13246484 0.85 TSHR (0.50) TSHRCA1CA2CA7CA9
SCHEMBL10052366 0.85 TSHR (0.54) TSHRCA1CA2CA7CA9
SCHEMBL13003073 0.85 TSHR (0.54) TSHRCA1CA2CA7CA9
SCHEMBL11527889 0.84 CA1 (0.51) TSHRCA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9849107-B2 Compositions and methods for inhibiting cytochrome P450 SEQUOIA PHARMACEUTICALS, INC. (US) 2017-12-26 US disclosed
US-20170354636-A1 METHODS FOR INHIBITING TUMORS AND DRUG RESISTANCE SEQUOIA PHARMACEUTICALS INC (US) 2017-12-14 US disclosed
US-20160361287-A1 COMPOSITIONS AND METHODS FOR INHIBITING CYTOCHROME P450 SEQUOIA PHARMACEUTICALS, INC. 2016-12-15 US disclosed
US-9233952-B2 Compositions and methods for inhibiting cytochrome P450 SEQUOIA PHARMACEUTICALS, INC. (US) 2016-01-12 US disclosed
US-20150284352-A1 METHODS FOR INHIBITING DRUG DEGRADATION SEQUOIA PHARMACEUTICALS INC (US) 2015-10-08 US disclosed
US-8952056-B2 Methods for inhibiting drug degradation SEQUOIA PHARMACEUTICALS, INC. (US) 2015-02-10 US disclosed
US-20140024671-A1 COMPOSITIONS AND METHODS FOR INHIBITING CYTOCHROME P450 SEQUOIA PHARMACEUTICALS INC (US) 2014-01-23 US disclosed
US-8481520-B2 Compositions and methods for inhibiting cytochrome P450 SEQUOIA PHARMACEUTICALS, INC. (US) 2013-07-09 US disclosed
EP-1255738-B1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO NEUROCRINE BIOSCIENCES INC (US) 2012-03-07 EP disclosed
US-20110098237-A1 METHODS FOR INHIBITING DRUG DEGRADATION SEQUOIA PHARMACEUTICALS, INC. (US) 2011-04-28 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 (5 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-20160361287-A1 COMPOSITIONS AND METHODS FOR INHIBITING CYTOCHROME P450 CYP3A43, CYP2E1, CYP7A1 TSHR 3663/4885CA1 1727/4885CA2 1245/4885
US-20170354636-A1 METHODS FOR INHIBITING TUMORS AND DRUG RESISTANCE HCCS, CYP2E1, CYP7A1 TSHR 3887/4885CA1 2740/4885CA2 1633/4885
US-20140024671-A1 COMPOSITIONS AND METHODS FOR INHIBITING CYTOCHROME P450 CYP3A43, CYP2E1, CYP7A1 TSHR 3663/4885CA1 1727/4885CA2 1245/4885
US-20150284352-A1 METHODS FOR INHIBITING DRUG DEGRADATION CYP2E1, CYP3A43, CYP3A5 TSHR 3142/4885CA1 2851/4885CA2 2135/4885
US-20110098237-A1 METHODS FOR INHIBITING DRUG DEGRADATION CYP2E1, CYP3A43, CYP3A5 TSHR 3142/4885CA1 2851/4885CA2 2135/4885

“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.