SCHEMBL20032091

SCHEMBL20032091

CCC(CC)c1ccc(S(N)(=O)=O)cc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA2 P00918 17/20 0.55
ALDH1A1 P00352 1/20 0.53
CA1 P00915 12/20 0.50
CA7 P43166 11/20 0.50
CA12 O43570 9/20 0.50
CA9 Q16790 9/20 0.50
CA5A P35218 4/20 0.50
CA5B Q9Y2D0 4/20 0.50
CA6 P23280 3/20 0.50
CA3 P07451 1/20 0.50
CA14 Q9ULX7 5/20 0.49
SMN1; SMN2 Q16637 1/20 0.48
NR1I2 O75469 1/20 0.47
TSHR P16473 2/20 0.47
CA13 Q8N1Q1 2/20 0.47
CA4 P22748 2/20 0.47
USP2 O75604 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
AGO2 Q9UKV8 1/20 0.46

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
SCHEMBL18713704 0.94 CA2 (0.59) CA2ALDH1A1CA1CA12CA9
SCHEMBL20372807 0.89 NR1I2 (0.54) CA2ALDH1A1CA1CA7CA12
SCHEMBL15247285 0.82 ALDH1A1 (0.56) CA2ALDH1A1CA1CA7CA12
SCHEMBL1626262 0.82 ALDH1A1 (0.56) CA2ALDH1A1CA1CA7CA12
SCHEMBL11833604 0.82 CA2 (0.53) CA2ALDH1A1CA1CA7CA12
SCHEMBL9450366 0.81 CA2 (0.56) CA2ALDH1A1CA1CA7CA12
SCHEMBL20032386 0.81 NR1I2 (0.49) NR1I2TSHR
SCHEMBL19987486 0.81 PSIP1 (0.52) ALDH1A1NR1I2
SCHEMBL13497549 0.80 CA2 (0.52) CA2ALDH1A1CA1CA7CA12
Hydrochloric Acid SCHEMBL1185938 0.80 CA2 (0.52) CA2ALDH1A1CA1CA7CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119371422-A Methods for preparing Toll-like receptor modulator compounds 吉利德科学公司 2025-01-28 CN disclosed
CN-114269744-B Methods for preparing Toll-like receptor modulator compounds 吉利德科学公司 2024-10-18 CN disclosed
US-11759462-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors ALTAVANT SCIENCES GMBH 2023-09-19 US disclosed
CN-114269744-A Methods for preparing Toll-like receptor modulator compounds 吉利德科学公司 2022-04-01 CN disclosed
US-11155556-B2 Pyrimido-diazepinone kinase scaffold compounds and methods for treating PI3K-mediated disorders DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-10-26 US disclosed
US-20210205305-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS ALTAVANT SCIENCES GMBH (CH) 2021-07-08 US disclosed
US-10946018-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors ROIVANT SCIENCES GMBH (CH) 2021-03-16 US disclosed
US-20200237760-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS ROIVANT SCIENCES GMBH (CH) 2020-07-30 US disclosed
US-10660893-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors ROIVANT SCIENCES, GmbH (CH) 2020-05-26 US disclosed
US-20190282575-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS ALTAVANT SCIENCES GMBH (CH) 2019-09-19 US disclosed
CN-110204464-A A kind of synthetic method of the tertiary sulfamide compound of aryl 西北师范大学 2019-09-06 CN disclosed
US-10350208-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors ROIVANT SCIENCES GMBH (CH) 2019-07-16 US disclosed
US-20190106424-A1 PYRIMIDO-DIAZEPINON KINASE SCAFFOLD COMPOUNDS AND METHODS FOR TREATING P13K-MEDIATED DISORDERS DANA-FARBER CANCER INSTITUTE, INC. (US) 2019-04-11 US disclosed
US-20180092918-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS ALTAVANT SCIENCES GMBH (CH) 2018-04-05 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 (10 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-10660893-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A CA2 3523/4885ALDH1A1 433/4885CA1 3748/4885
US-20200237760-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A CA2 3523/4885ALDH1A1 433/4885CA1 3748/4885
US-20180092918-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A CA2 3523/4885ALDH1A1 433/4885CA1 3748/4885
US-20210205305-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A CA2 3523/4885ALDH1A1 433/4885CA1 3748/4885
US-10350208-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A CA2 3523/4885ALDH1A1 433/4885CA1 3748/4885
US-11155556-B2 Pyrimido-diazepinone kinase scaffold compounds and methods for treating PI3K-mediated disorders PI4KA, PIK3CA, PI4KB CA2 3939/4885ALDH1A1 2810/4885CA1 4677/4885
US-11759462-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A CA2 3523/4885ALDH1A1 433/4885CA1 3748/4885
US-20190282575-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A CA2 3523/4885ALDH1A1 433/4885CA1 3748/4885
US-20190106424-A1 PYRIMIDO-DIAZEPINON KINASE SCAFFOLD COMPOUNDS AND METHODS FOR TREATING P13K-MEDIATED DISORDERS PI4KA, PI4KB, PIK3CA CA2 4116/4885ALDH1A1 3257/4885CA1 4660/4885
US-10946018-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A CA2 3523/4885ALDH1A1 433/4885CA1 3748/4885

“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.