SCHEMBL2109554

SCHEMBL2109554

[c]1csc2ccc3ccccc3c12

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
CYP2A6 P11509 5/20 0.42
HSD17B10 Q99714 4/20 0.42
TSHR P16473 3/20 0.42
TDP1 Q9NUW8 1/20 0.42
HPRT1 P00492 1/20 0.39
HIF1A Q16665 1/20 0.37
CYP1B1 Q16678 1/20 0.37
PRNP P04156 1/20 0.35
CYP1A2 P05177 4/20 0.33
PTPN22 Q9Y2R2 1/20 0.33
PAX8 Q06710 1/20 0.33
HPGD P15428 2/20 0.32
THRB P10828 1/20 0.32
ACP3 P15309 1/20 0.32
POLB P06746 1/20 0.31
CYP3A4 P08684 1/20 0.31
KEAP1 Q14145 1/20 0.31

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
SCHEMBL5866020 0.68 ALDH1A1 (0.42) ALDH1A1CYP2A6HSD17B10TSHRTDP1
SCHEMBL25021 0.66 ALDH1A1 (0.50) ALDH1A1CYP2A6HSD17B10TSHRTDP1
SCHEMBL420650 0.64 ALDH1A1 (0.55) ALDH1A1CYP2A6HSD17B10TSHRTDP1
Phenanthrene SCHEMBL1330750 0.64 CYP2A6 (1.00) ALDH1A1CYP2A6HSD17B10TSHRTDP1
Phenanthrene SCHEMBL8873977 0.64 CYP2A6 (1.00) ALDH1A1CYP2A6HSD17B10TSHRTDP1
Phenanthrene SCHEMBL29358486 0.64 CYP2A6 (1.00) ALDH1A1CYP2A6HSD17B10TSHRTDP1
Phenanthrene SCHEMBL30932938 0.64 CYP2A6 (1.00) ALDH1A1CYP2A6HSD17B10TSHRTDP1
Phenanthrene SCHEMBL7643 0.64 CYP2A6 (1.00) ALDH1A1CYP2A6HSD17B10TSHRTDP1
Phenanthrene SCHEMBL29477074 0.64 CYP2A6 (1.00) ALDH1A1CYP2A6HSD17B10TSHRTDP1
SCHEMBL13250616 0.63 HSD17B10 (0.52) ALDH1A1CYP2A6HSD17B10TSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120165327-A1 SPIROPIPERIDINES FOR USE AS TRYPTASE INHIBITORS COSTANZO MICHAEL J (US) 2012-06-28 US claimed
US-8158792-B2 Spiropiperidines for use as tryptase inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2012-04-17 US claimed
US-20090163527-A1 Spiropiperidines for use as tryptase inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2009-06-25 US claimed
CN-109952663-A Organic illuminating element composition for sealing and the organic illuminating element display device as manufactured by the composition 三星SDI株式会社 2019-06-28 CN disclosed
CN-108559063-A Electroluminescent polymer containing polar substituent group condensed ring structure and preparation and application thereof 华南协同创新研究院 2018-09-21 CN disclosed
US-8536189-B2 Spiropiperidines for use as tryptase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2013-09-17 US disclosed
US-20120165327-A1 SPIROPIPERIDINES FOR USE AS TRYPTASE INHIBITORS COSTANZO MICHAEL J (US) 2012-06-28 US disclosed
US-8158792-B2 Spiropiperidines for use as tryptase inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2012-04-17 US disclosed
US-20090163527-A1 Spiropiperidines for use as tryptase inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2009-06-25 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-20120165327-A1 SPIROPIPERIDINES FOR USE AS TRYPTASE INHIBITORS TPSAB1, TPSB2, TPSD1 ALDH1A1 450/4885CYP2A6 459/4885HSD17B10 1711/4885
US-20090163527-A1 Spiropiperidines for use as tryptase inhibitors TPSAB1, TPSB2, TPSD1 ALDH1A1 450/4885CYP2A6 459/4885HSD17B10 1711/4885

“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.