SCHEMBL12424630

SCHEMBL12424630

CC1CCN(S(=O)(=O)Cc2ccccc2)CC1

nearest known ligand 0.74

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.74
TSHR P16473 2/20 0.65
HPGD P15428 2/20 0.65
MAPT P10636 3/20 0.64
NPSR1 Q6W5P4 2/20 0.63
ALDH1A1 P00352 2/20 0.63
HSD17B10 Q99714 1/20 0.63
PKM P14618 1/20 0.60
KMT2A Q03164 1/20 0.57
NPC1 O15118 1/20 0.57
RAB9A P51151 1/20 0.57

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
SCHEMBL12385827 0.90 POLB (0.62) POLBTSHRHPGDMAPTNPSR1
SCHEMBL15014074 0.84 NPSR1 (0.64) POLBTSHRHPGDMAPTNPSR1
SCHEMBL8898560 0.84 POLB (0.55) POLBTSHRHPGDMAPTNPSR1
SCHEMBL735675 0.84 TSHR (0.81) POLBTSHRHPGDALDH1A1KMT2A
SCHEMBL7239112 0.83 HPGD (0.65) POLBTSHRHPGDMAPTNPSR1
SCHEMBL28949192 0.83 HPGD (0.68) TSHRHPGDMAPTNPSR1ALDH1A1
SCHEMBL8342174 0.83 HPGD (0.63) POLBTSHRHPGDMAPTNPSR1
SCHEMBL12384638 0.83 NPSR1 (0.60) POLBTSHRHPGDMAPTNPSR1
SCHEMBL1983277 0.82 HPGD (0.63) POLBTSHRHPGDMAPTNPSR1
SCHEMBL13181084 0.81 HDAC3 (0.65) POLBTSHRHPGDMAPTNPSR1

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-11806337-B2 Small molecule activators of nicotinamide phosphoribosyltransferase (NAMPT) and uses thereof Sanford Burnham Prebys Medical Discovery Institute (US) 2023-11-07 US disclosed
US-9556187-B2 Substituted pyrrolo[3′,2′:5,6]pyrido[4,3-d]pyrimidines and JAK inhibitors comprising the same NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2017-01-31 US disclosed
US-20160102102-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS AND JAK INHIBITORS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-04-14 US disclosed
US-9216999-B2 Substituted pyrrolo[2,3-h][1,6]naphthyridines and compositions thereof as JAK inhibitors NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2015-12-22 US disclosed
US-20140200344-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS AND JAK INHIBITORS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2014-07-17 US disclosed
US-8461328-B2 Tricyclic heterocyclic compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2013-06-11 US disclosed
US-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2011-08-18 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 (4 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-20160102102-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS AND JAK INHIBITORS JAK2, JAK1, JAK3 POLB 409/4885TSHR 502/4885HPGD 3560/4885
US-20140200344-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS AND JAK INHIBITORS JAK2, JAK1, JAK3 POLB 981/4885TSHR 480/4885HPGD 2010/4885
US-11806337-B2 Small molecule activators of nicotinamide phosphoribosyltransferase (NAMPT) and uses thereof NAMPT, NAPRT, NNT POLB 1482/4885TSHR 3541/4885HPGD 139/4885
US-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF CCNY, CCNA1, CCNA2 POLB 660/4885TSHR 1082/4885HPGD 223/4885

“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.