SCHEMBL2074342

SCHEMBL2074342

CC(C[S])c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 4/20 0.58
▸ AOC3 Q16853 2/20 0.52
▸ TRPA1 O75762 4/20 0.50
▸ RIPK1 Q13546 1/20 0.50
▸ ALDH1A1 P00352 2/20 0.42
▸ MIF P14174 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ GFER P55789 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ HTR2A P28223 1/20 0.41
▸ HRH1 P35367 1/20 0.41

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
SCHEMBL5609708 0.80 RIPK1 (0.57) TAAR1AOC3TRPA1RIPK1
SCHEMBL13715906 0.79 TAAR1 (0.58) TAAR1AOC3TRPA1RIPK1ALDH1A1
SCHEMBL3672929 0.78 TRPA1 (0.67) TAAR1AOC3TRPA1RIPK1ALDH1A1
SCHEMBL6280516 0.78 RIPK1 (0.67) TAAR1AOC3TRPA1RIPK1
SCHEMBL3674520 0.77 TRPA1 (0.59) TAAR1AOC3TRPA1RIPK1ALDH1A1
SCHEMBL136376 0.76 TAAR1 (0.61) TAAR1AOC3TRPA1RIPK1ALDH1A1
SCHEMBL4443642 0.76 TAAR1 (0.61) TAAR1AOC3TRPA1RIPK1ALDH1A1
Benzene SCHEMBL5290987 0.76 TAAR1 (0.61) TAAR1AOC3TRPA1RIPK1ALDH1A1
SCHEMBL17453236 0.76 TAAR1 (0.61) TAAR1AOC3TRPA1RIPK1ALDH1A1
Lithium SCHEMBL30777534 0.76 RIPK1 (0.64) TAAR1AOC3TRPA1RIPK1

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 80 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024117205-A1 BICYCLIC PYRIDINE DERIVATIVE AND SALT THEREOF, AND HARMFUL ORGANISM CONTROL AGENT CHARACTERIZED BY CONTAINING SAID DERIVATIVE OR SALT THEREOF AS ACTIVE INGREDIENT 北興化学工業株式会社 2024-06-06 — — WO disclosed
WO-2018193463-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF TETRAHYDROISOQUINOLINE COMPOUNDS NEON LABORATORIES LIMITED (IN) 2018-10-25 — — WO disclosed
US-7902179-B2 Suppress tumor necrosis factor; Crohn's disease; imflammatory bowel disorders; sepsis; autoimmune disease AJINOMOTO CO., INC. (JP) 2011-03-08 — — US disclosed
EP-2130820-A1 Antipruritics SHIONOGI & CO., LTD. (JP) 2009-12-09 — — EP disclosed
EP-1477186-B1 ANTIPRURITICS SHIONOGI & CO (JP) 2009-11-11 — — EP disclosed
US-20080312292-A1 Antipruritics YASUI KIYOSHI 2008-12-18 — — US disclosed
US-7420053-B2 2-imino-1,3-thiazine derivatives SHIONOGI & CO., LTD. (JP) 2008-09-02 — — US disclosed
EP-1375489-B1 MEDICINAL COMPOSITION CONTAINING 1,3-THIAZINE DERIVATIVE SHIONOGI & CO (JP) 2008-08-20 — — EP disclosed
EP-1219612-B1 2-IMINO-1,3-THIAZINE DERIVATIVES SHIONOGI & CO (JP) 2008-04-23 — — EP disclosed
US-20070088020-A1 2-imino-1,3-thiazine derivatives HANASAKI KOJI 2007-04-19 — — US disclosed
US-4826992-A MICROBIOCIDE INTERMEDIATES ELI LILLY AND COMPANY (US) 1989-05-02 — — US disclosed
US-4795815-A BACTERICIDES, MICROBIOCIDES ELI LILLY AND COMPANY (US) 1989-01-03 — — US disclosed
US-4734504-A 1-alkylated diazolidinones ELI LILLY AND COMPANY (US) 1988-03-29 — — US disclosed
US-4734505-A 1-(alkylated)-2-(acylated)diazolidinones ELI LILLY AND COMPANY (US) 1988-03-29 — — US disclosed
US-4716232-A 1-(vinyl phosphonate adduct) pyrazolidinones ELI LILLY AND COMPANY (US) 1987-12-29 — — US disclosed
EP-0203723-A1 2,3-(dihydro)bicyclic pyrazolidinones ELI LILLY AND COMPANY (US) 1986-12-03 — — EP disclosed
EP-0203722-A1 Bicyclic pyrazolidinones ELI LILLY AND COMPANY (US) 1986-12-03 — — EP disclosed
EP-0202794-A1 7-Substituted-2,3-(Dihydro) bicyclic pyrazolidinones ELI LILLY AND COMPANY (US) 1986-11-26 — — EP disclosed
EP-0202046-A1 7-Substituted bicyclic pyrazolidinones ELI LILLY AND COMPANY (US) 1986-11-20 — — EP disclosed
EP-0104432-A2 Herbicide and plant growth regulator comprising alpha-beta-unsaturated compound TEIJIN LIMITED (JP) 1984-04-04 — — EP 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-20080312292-A1 Antipruritics CNR1, CNR2, OPRL1 TAAR1 203/4885AOC3 3019/4885TRPA1 24/4885
US-20070088020-A1 2-imino-1,3-thiazine derivatives CNR2, CNR1, HTR2C TAAR1 99/4885AOC3 2744/4885TRPA1 132/4885

“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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