SCHEMBL88855

SCHEMBL88855

C=CC[S+]([O-])c1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
TSHR P16473 2/20 0.33
CYP3A4 P08684 2/20 0.31
TDP1 Q9NUW8 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL10744639 0.78 IDH1 (0.32) ALDH1A1TSHR
SCHEMBL5668391 0.78 ALDH1A1 (0.31) ALDH1A1TSHR
SCHEMBL11085212 0.78 MAPT (0.33) ALDH1A1CYP3A4
SCHEMBL6912656 0.78 C5AR1 (0.33) TDP1
SCHEMBL10688042 0.78
SCHEMBL10400626 0.77 CYP3A4 (0.31) CYP3A4TDP1
SCHEMBL4280773 0.77 ALDH1A1 (0.33) ALDH1A1CYP3A4TDP1
SCHEMBL2326868 0.76 ALDH1A1 (0.36) ALDH1A1TSHRCYP2C19
SCHEMBL2469938 0.76 ALDH1A1 (0.36) ALDH1A1TSHRCYP2C19
SCHEMBL9958346 0.75 TP53 (0.42)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119612552-A Preparation method of hollow Prussian blue positive electrode material 浙江山高新能源有限公司 2025-03-14 CN claimed
CN-118165145-A Synthesis method of low molecular weight vinyl-terminated fluorine-containing polymer 沈阳化工大学 2024-06-11 CN claimed
CN-109021701-A The preparation method of quantum dot ink and light emitting diode with quantum dots TCL集团股份有限公司 2018-12-18 CN claimed
CN-108840881-A A kind of tetra- substituted benzene of 1,2,3,5- and its synthetic method of the silicon substrate containing 3- 重庆大学 2018-11-20 CN claimed
CN-108299490-A A kind of tetra- substituted benzenes of 1,2,3,5- and its synthetic method of the silicon substrate containing 5- 重庆大学 2018-07-20 CN claimed
US-20120184561-A1 PHENYLACETAMIDES SUITABLE AS PROTEIN KINASE INHIBITORS NOVARTIS AG (CH) 2012-07-19 US claimed
EP-1874770-B1 PHENYLACETAMIDES SUITABLE AS PROTEIN KINASE INHIBITORS NOVARTIS AG (CH) 2011-03-09 EP claimed
EP-1874770-A1 PHENYLACETAMIDES SUITABLE AS PROTEIN KINASE INHIBITORS Novartis Pharma AG (CH) 2008-01-09 EP claimed
WO-2006108640-A1 PHENYLACETAMIDES SUITABLE AS PROTEIN KINASE INHIBITORS NOVARTIS AG (CH) 2006-10-19 WO claimed
EP-0853108-B1 Ink jet ink compositions and processes for high resolution and high speed printing XEROX CORP (US) 2002-08-21 EP claimed
EP-1107964-A1 ISOQUINOLINE DERIVATIVES WITH ANGIOGENESIS INHIBITING ACTIVITY Novartis AG (CH) 2001-06-20 EP claimed
WO-2000009495-A1 ISOQUINOLINE DERIVATIVES WITH ANGIOGENESIS INHIBITING ACTIVITY NOVARTIS AG (CH) 2000-02-24 WO claimed
US-5851274-A Ink jet ink compositions and processes for high resolution and high speed printing XEROX CORPORATION (US) 1998-12-22 US claimed
EP-0853108-A1 Ink jet ink compositions and processes for high resolution and high speed printing XEROX CORPORATION (US) 1998-07-15 EP claimed
US-6424364-B1 None US disclosed
JP-9048853-A None JP disclosed
CN-119612552-A Preparation method of hollow Prussian blue positive electrode material 浙江山高新能源有限公司 2025-03-14 CN disclosed
US-4886793-A PENICILLINS; HUMANS OR ANIMALS FARMITALIA CARLO ERBA, S.R.L. (IT) 1989-12-12 US disclosed
EP-0236880-A2 Penem derivatives FARMITALIA CARLO ERBA S.r.l. (IT) 1987-09-16 EP disclosed
US-4403054-A SULFOXIDE COMPOUND OR SULFINYL-CONTAINING POLYMER GENERAL ELECTRIC COMPANY (US) 1983-09-06 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 (1 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-20120184561-A1 PHENYLACETAMIDES SUITABLE AS PROTEIN KINASE INHIBITORS MAP3K10, MAP3K20, MAP3K9 ALDH1A1 3213/4885TSHR 2185/4885CYP3A4 3394/4885

“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.