SCHEMBL3858010

SCHEMBL3858010

CC(=O)NC1Cc2ccc(S)cc2C1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA1 P00915 6/20 0.61
CA2 P00918 6/20 0.61
CA12 O43570 5/20 0.61
CA7 P43166 5/20 0.61
CA14 Q9ULX7 5/20 0.61
CA9 Q16790 4/20 0.60
MTNR1A P48039 6/20 0.51
MTNR1B P49286 4/20 0.51
APOB P04114 1/20 0.43
MTTP P55157 1/20 0.43
MCHR1 Q99705 1/20 0.40
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL9505624 0.81 CA1 (0.63) CA1CA2CA12CA7CA14
SCHEMBL4808483 0.80 CA1 (0.61) CA1CA2CA12CA7CA14
SCHEMBL6583483 0.80 CA1 (0.64) CA1CA2CA12CA7CA14
SCHEMBL8008813 0.80 CA1 (0.64) CA1CA2CA12CA7CA14
SCHEMBL10405252 0.80 CA1 (0.61) CA1CA2CA12CA7CA14
SCHEMBL31637765 0.80 CA1 (0.61) CA1CA2CA12CA7CA14
SCHEMBL11444221 0.80 CA1 (0.61) CA1CA2CA12CA7CA14
SCHEMBL8669883 0.79 CA1 (0.60) CA1CA2CA12CA7CA14
SCHEMBL3848718 0.79 CA1 (0.60) CA1CA2CA12CA7CA14
Hydrochloric Acid SCHEMBL11453887 0.79 CA1 (0.62) CA1CA2CA12CA7CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090326258-A1 PROCESS FOR THE PREPARATION OF SUBSTITUTED TETRALIN AND SUBSTITUTED INDANE DERIVATIVES ZHAN-PLASKET FAN 2009-12-31 US disclosed
US-20090326258-A1 PROCESS FOR THE PREPARATION OF SUBSTITUTED TETRALIN AND SUBSTITUTED INDANE DERIVATIVES ZHAN-PLASKET FAN 2009-12-31 US disclosed
US-20090326258-A1 PROCESS FOR THE PREPARATION OF SUBSTITUTED TETRALIN AND SUBSTITUTED INDANE DERIVATIVES ZHAN-PLASKET FAN 2009-12-31 US disclosed
US-7576238-B2 Process for the preparation of substituted tetralin and substituted indane derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2009-08-18 US disclosed
US-7576238-B2 Process for the preparation of substituted tetralin and substituted indane derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2009-08-18 US disclosed
US-7576238-B2 Process for the preparation of substituted tetralin and substituted indane derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2009-08-18 US disclosed
US-20080096962-A1 Process for the Preparation of Substituted Tetralin and Substituted Indane Derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2008-04-24 US disclosed
US-20080096962-A1 Process for the Preparation of Substituted Tetralin and Substituted Indane Derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2008-04-24 US disclosed
US-20080096962-A1 Process for the Preparation of Substituted Tetralin and Substituted Indane Derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2008-04-24 US disclosed
US-20050240049-A1 Process for the preparation of substituted tetralin and substituted indane derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2005-10-27 US disclosed
US-4192888-A Pharmaceutical compositions and method of inhibiting phenylethanolamine N-methyltransferase SMITHKLINE CORPORATION (US) 1980-03-11 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 (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-20090326258-A1 PROCESS FOR THE PREPARATION OF SUBSTITUTED TETRALIN AND SUBSTITUTED INDANE DERIVATIVES TDO2, ITPA, TTI2 CA1 1674/4885CA2 2963/4885CA12 1638/4885
US-20080096962-A1 Process for the Preparation of Substituted Tetralin and Substituted Indane Derivatives TDO2, ITPA, TTI2 CA1 1674/4885CA2 2963/4885CA12 1638/4885
US-20050240049-A1 Process for the preparation of substituted tetralin and substituted indane derivatives TDO2, TTI2, ITPA CA1 1595/4885CA2 2880/4885CA12 1743/4885

“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.