SCHEMBL16574064

SCHEMBL16574064

Cc1ccc(-c2ccc3ncccc3c2)cc1-c1cccc(S(C)(=O)=O)c1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 4/20 0.50
NPC1 O15118 1/20 0.50
POLB P06746 1/20 0.50
RAB9A P51151 1/20 0.50
PFKFB3 Q16875 1/20 0.46
DYRK1A Q13627 1/20 0.43
NR1H2 P55055 5/20 0.42
NR1H3 Q13133 2/20 0.42
LRRK2 Q5S007 1/20 0.42
ALDH1A1 P00352 2/20 0.41
MET P08581 1/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MCL1 Q07820 1/20 0.41
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP2D6 P10635 1/20 0.40

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
SCHEMBL27475480 0.90 NPC1 (0.62) CYP2C9NPC1POLBRAB9APFKFB3
SCHEMBL18713742 0.83 CYP2C9 (0.46) CYP2C9NPC1POLBRAB9APFKFB3
SCHEMBL20032448 0.82 CYP2C9 (0.45) CYP2C9NPC1POLBRAB9APFKFB3
SCHEMBL16574063 0.79 PTGS2 (0.54) NR1H2NR1H3LRRK2
SCHEMBL17442655 0.76 ALDH1A1 (0.58) NPC1POLBRAB9AALDH1A1MET
SCHEMBL15730269 0.75 CYP2C9 (0.52) CYP2C9NR1H2NR1H3LRRK2MET
SCHEMBL2227109 0.73 MAP4K4 (0.61) CYP2C9NPC1POLBRAB9ADYRK1A
SCHEMBL15730171 0.72 NPC1 (0.67) NPC1POLBRAB9ADYRK1AALDH1A1
SCHEMBL28053968 0.72 RAB9A (0.72) NPC1POLBRAB9ADYRK1AALDH1A1
SCHEMBL16574042 0.71 CNR1 (0.46) NR1H2NR1H3LRRK2

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-11759462-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors ALTAVANT SCIENCES GMBH 2023-09-19 US disclosed
EP-3041842-B1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS KAROS PHARMACEUTICALS INC (US) 2019-10-23 EP disclosed
US-20180092918-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS ALTAVANT SCIENCES GMBH (CH) 2018-04-05 US disclosed
US-9750740-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors Kanos Pharmaceuticals, Inc. (US) 2017-09-05 US disclosed
US-20170095476-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS ALTAVANT SCIENCES GMBH (CH) 2017-04-06 US disclosed
US-9512122-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors KAROS PHARMACEUTICALS, INC. (US) 2016-12-06 US disclosed
US-20160096836-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS ALTAVANT SCIENCES GMBH (CH) 2016-04-07 US disclosed
US-9199994-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors KAROS PHARMACEUTICALS, INC. (US) 2015-12-01 US disclosed
US-20150080393-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS ALTAVANT SCIENCES GMBH (CH) 2015-03-19 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-20150080393-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A CYP2C9 196/4885NPC1 2072/4885POLB 4133/4885
US-20180092918-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A CYP2C9 196/4885NPC1 2072/4885POLB 4133/4885
US-20170095476-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A CYP2C9 196/4885NPC1 2072/4885POLB 4133/4885
US-20160096836-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A CYP2C9 196/4885NPC1 2072/4885POLB 4133/4885
US-11759462-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A CYP2C9 196/4885NPC1 2072/4885POLB 4133/4885

“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.