Sugi Predict

Sugi Predict / Compounds / SCHEMBL971348

SCHEMBL971348

SCHEMBL971348

O=[N+]([O-])c1ccc(C[S])cc1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ LOXL2 Q9Y4K0 1/20 0.61
▸ TSHR P16473 1/20 0.57
▸ IDO1 P14902 3/20 0.55
▸ CYP2C19 P33261 3/20 0.53
▸ ALDH1A1 P00352 2/20 0.53
▸ POLB P06746 1/20 0.53
▸ CYP1A2 P05177 2/20 0.50
▸ ACHE P22303 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ KCNJ1 P48048 1/20 0.50
▸ KCNH2 Q12809 1/20 0.50
▸ DBH P09172 1/20 0.50
▸ AKR1C3 P42330 1/20 0.48
▸ CHRM2 P08172 1/20 0.48
▸ PTPRF P10586 1/20 0.48
▸ PTPN2 P17706 1/20 0.48
▸ PTPN1 P18031 1/20 0.48
▸ PTPN11 Q06124 1/20 0.48

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
SCHEMBL2552030 0.82 TSHR (0.64) LOXL2TSHRIDO1CYP2C19ALDH1A1
SCHEMBL22464 0.81 LOXL2 (0.61) LOXL2TSHRIDO1CYP2C19ALDH1A1
SCHEMBL3292782 0.80 TSHR (0.75) LOXL2TSHRIDO1CYP2C19ALDH1A1
SCHEMBL44366 0.80 POLB (0.76) LOXL2TSHRIDO1CYP2C19ALDH1A1
SCHEMBL8087428 0.80 POLB (0.76) LOXL2TSHRIDO1CYP2C19ALDH1A1
SCHEMBL8094050 0.80 POLB (0.76) LOXL2TSHRIDO1CYP2C19ALDH1A1
SCHEMBL27752664 0.79 ALDH1A1 (0.65) LOXL2TSHRALDH1A1ACHEHSD17B10
SCHEMBL27909482 0.79 ALDH1A1 (0.72) LOXL2TSHRALDH1A1ACHEHSD17B10
SCHEMBL22567 0.79 ALDH1A1 (0.72) LOXL2TSHRALDH1A1ACHEHSD17B10
SCHEMBL300767 0.78 LOXL2 (0.64) LOXL2TSHRIDO1CYP2C19ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220133656-A1 METHODS OF TREATING TRIGEMINAL NERVE PAIN VANDERBILT UNIVERSITY 2022-05-05 — — US claimed
US-20110009446-A1 OLIGOMER-GUANIDINE CLASS CONJUGATES NEKTAR THERAPEUTICS (US) 2011-01-13 — — US claimed
WO-2009089053-A1 OLIGOMER-GUANIDINE CLASS CONJUGATES NEKTAR THERAPEUTICS AL, CORPORATION (US) 2009-07-16 — — WO claimed
US-11414429-B2 Compound or pharmaceutically acceptable salt thereof RIKEN (JP) 2022-08-16 — — US disclosed
US-20220133656-A1 METHODS OF TREATING TRIGEMINAL NERVE PAIN VANDERBILT UNIVERSITY 2022-05-05 — — US disclosed
CN-110023315-B Novel compound or pharmacologically acceptable salt thereof 国立研究开发法人理化学研究所 2021-11-12 — — CN disclosed
EP-3480198-B1 NOVEL COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF RIKEN (JP) 2021-05-05 — — EP disclosed
US-20200172554-A1 NOVEL COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF RIKEN (JP) 2020-06-04 — — US disclosed
EP-3480198-A1 NOVEL COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF RIKEN (JP) 2019-05-08 — — EP disclosed
EP-2277878-B1 PROCESS FOR PRODUCTION OF ETHYNYLTHYMIDINE COMPOUND USING 5-METHYLURIDINE AS STARTING RAW MATERIAL HAMARI CHEMICALS LTD (JP) 2014-09-17 — — EP disclosed
US-8445669-B2 Production process of ethynylthymidine compounds from 5-methyluridine as a starting material HAMARI CHEMICALS, LTD. (JP) 2013-05-21 — — US disclosed
US-4084049-A CEPHALOSPORIN ANTIBIOTICS FUJISAWA PHARMACEUTICAL CO., LTD. (JA) 1978-04-11 — — US disclosed
US-4061752-A ANTIPSYCHOTIC, SEDATIVE SANDOZ LTD. (CH) 1977-12-06 — — US disclosed
US-4002764-A Diazepine derivatives in the treatment of tension, agitation and epilepsy CIBA-GEIGY CORPORATION (US) 1977-01-11 — — US disclosed
US-3959248-A TRIPEPTIDES; ANTIDEPRESSANTS MERCK & CO., INC. (US) 1976-05-25 — — US disclosed
US-3959282-A ANTIPSYCHOLICS, SOPORIFICES SANDOZ LTD. (CH) 1976-05-25 — — US disclosed
US-3954732-A BACTERICIDAL PENICILLINS FUJISAWA PHARMACEUTICAL CO., LTD. (JA) 1976-05-04 — — US disclosed
US-3948931-A Triazolo benzodiazepine-1-carboxamides CIBA-GEIGY CORPORATION (US) 1976-04-06 — — US disclosed
US-3946032-A Acetal derivatives of 6-phenyl-4H-s-triazolo[4,3-a][1,4]benzodiazepine-1-carboxaldehyde CIBA-GEIGY CORPORATION (US) 1976-03-23 — — US disclosed
US-3941799-A 6-Substituted-11b-phenyl-3, 11bH-oxazirino[2,3-d]-s-triazol[4,3-a][1,4]benzodiazepines CIBA-GEIGY CORPORATION (US) 1976-03-02 — — 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 (4 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-20220133656-A1 METHODS OF TREATING TRIGEMINAL NERVE PAIN NGF, ADRA2C, OPRL1 LOXL2 1654/4885TSHR 2302/4885IDO1 2805/4885
US-11414429-B2 Compound or pharmaceutically acceptable salt thereof DPP8, DPP7, AZI2 LOXL2 2782/4885TSHR 2356/4885IDO1 864/4885
US-20200172554-A1 NOVEL COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF DPP8, DPP7, AZI2 LOXL2 2943/4885TSHR 2028/4885IDO1 742/4885
US-20110009446-A1 OLIGOMER-GUANIDINE CLASS CONJUGATES GMPS, OGT, GBA1 LOXL2 3937/4885TSHR 3377/4885IDO1 2106/4885

“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.