SCHEMBL1327443

SCHEMBL1327443

CC1SC2(CCN(C)CC2)CN1S(=O)(=O)c1ccc(F)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 2/20 0.44
▸ HTR2A P28223 1/20 0.40
▸ HTR2C P28335 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ HTR7 P34969 1/20 0.40
▸ MMP1 P03956 1/20 0.38
▸ MMP2 P08253 1/20 0.38
▸ MMP3 P08254 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ MEN1 O00255 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ HTR6 P50406 2/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ TSHR P16473 1/20 0.37

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
SCHEMBL1327465 0.78 TRPA1 (0.41) TRPA1HTR2AHTR2CTP53MAPK1
SCHEMBL28242968 0.68 TRPA1 (0.56) TRPA1HTR7PKMMEN1KMT2A
SCHEMBL1328129 0.68 KDM4E (0.41) TRPA1HTR2AHTR2CPKMMEN1
SCHEMBL424172 0.67 PKM (0.71) SMN1; SMN2PKMMEN1KMT2ATSHR
SCHEMBL4907400 0.67 AKR1B1 (0.39) HTR2AHTR2CMMP2KMT2AHTR6
SCHEMBL9965987 0.66 HTR2A (0.58) HTR2AHTR2CMMP1
SCHEMBL12124759 0.66 HTR2A (0.39) TRPA1HTR2AHTR2CPKMMEN1
SCHEMBL5751186 0.66 MMP2 (0.42) HTR2AHTR2CMMP2PKMMEN1
SCHEMBL10067927 0.65 TRPA1 (0.66) TRPA1HTR7KMT2ATSHR
SCHEMBL18017266 0.64 TRPA1 (0.53) TRPA1HTR7MMP2PKMMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8673931-B2 Bicyclic heterocyclic spiro compounds ISRAEL INSTITUTE FOR BIOLOGICAL RESEARCH (IL) 2014-03-18 — — US claimed
US-20130225624-A1 BICYCLIC HETEROCYCLIC SPIRO COMPOUNDS ISRAEL INSTITUTE FOR BIOLOGICAL RESEARCH (IL) 2013-08-29 — — US claimed
US-20110281903-A1 BICYCLIC HETEROCYCLIC SPIRO COMPOUNDS ISRAEL INSTITUTE FOR BIOLOGICAL RESEARCH (IL) 2011-11-17 — — US claimed
EP-2389383-B1 BICYCLIC HETEROCYCLIC SPIRO COMPOUNDS ISRAEL INSTITUTE FOR BIOLOGICAL RES (IL) 2019-04-24 — — EP disclosed
US-9034891-B2 Bicyclic heterocyclic spiro compounds ISRAEL INSTITUTE FOR BIOLOGICAL RESEARCH (IL) 2015-05-19 — — US disclosed
US-9034891-B2 Bicyclic heterocyclic spiro compounds ISRAEL INSTITUTE FOR BIOLOGICAL RESEARCH (IL) 2015-05-19 — — US disclosed
US-9034891-B2 Bicyclic heterocyclic spiro compounds ISRAEL INSTITUTE FOR BIOLOGICAL RESEARCH (IL) 2015-05-19 — — US disclosed
US-8673931-B2 Bicyclic heterocyclic spiro compounds ISRAEL INSTITUTE FOR BIOLOGICAL RESEARCH (IL) 2014-03-18 — — US disclosed
US-8673931-B2 Bicyclic heterocyclic spiro compounds ISRAEL INSTITUTE FOR BIOLOGICAL RESEARCH (IL) 2014-03-18 — — US disclosed
US-8673931-B2 Bicyclic heterocyclic spiro compounds ISRAEL INSTITUTE FOR BIOLOGICAL RESEARCH (IL) 2014-03-18 — — US disclosed
US-20130225624-A1 BICYCLIC HETEROCYCLIC SPIRO COMPOUNDS ISRAEL INSTITUTE FOR BIOLOGICAL RESEARCH (IL) 2013-08-29 — — US disclosed
US-20130225624-A1 BICYCLIC HETEROCYCLIC SPIRO COMPOUNDS ISRAEL INSTITUTE FOR BIOLOGICAL RESEARCH (IL) 2013-08-29 — — US disclosed
US-20130225624-A1 BICYCLIC HETEROCYCLIC SPIRO COMPOUNDS ISRAEL INSTITUTE FOR BIOLOGICAL RESEARCH (IL) 2013-08-29 — — US disclosed
US-20110281903-A1 BICYCLIC HETEROCYCLIC SPIRO COMPOUNDS ISRAEL INSTITUTE FOR BIOLOGICAL RESEARCH (IL) 2011-11-17 — — US disclosed
US-20110281903-A1 BICYCLIC HETEROCYCLIC SPIRO COMPOUNDS ISRAEL INSTITUTE FOR BIOLOGICAL RESEARCH (IL) 2011-11-17 — — US disclosed
US-20110281903-A1 BICYCLIC HETEROCYCLIC SPIRO COMPOUNDS ISRAEL INSTITUTE FOR BIOLOGICAL RESEARCH (IL) 2011-11-17 — — US disclosed
WO-2010084499-A9 BICYCLIC HETEROCYCLIC SPIRO COMPOUNDS ISRAEL INSTITUTE FOR BIOLOGICAL RESEARCH (IL) 2010-12-09 — — WO disclosed
WO-2010084499-A2 BICYCLIC HETEROCYCLIC SPIRO COMPOUNDS ISRAEL INSTITUTE FOR BIOLOGICAL RESEARCH (IL) 2010-07-29 — — WO 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-20130225624-A1 BICYCLIC HETEROCYCLIC SPIRO COMPOUNDS CHRM3, CHRM1, CHRM2 TRPA1 46/4885HTR2A 222/4885HTR2C 148/4885
US-20110281903-A1 BICYCLIC HETEROCYCLIC SPIRO COMPOUNDS GPR119, CHRM2, CHRM1 TRPA1 87/4885HTR2A 178/4885HTR2C 303/4885

“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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