SCHEMBL3210177

SCHEMBL3210177

CCCCCCCCCCCCC(N)(CCCCCCCCCCCC)C(CCCCCCCCCC)(CCCCCCCCCCCC)CCCCCCCCCCCC

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 4/20 0.45
FDPS P14324 2/20 0.45
TSHR P16473 2/20 0.42
THRB P10828 1/20 0.42
DNM1 Q05193 8/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 1/20 0.39
EPHX1 P07099 1/20 0.39
GGPS1 O95749 1/20 0.38

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
SCHEMBL3207013 1.00 SMPD1 (0.45) SMPD1FDPSTSHRTHRBDNM1
SCHEMBL16936118 1.00 SMPD1 (0.45) SMPD1FDPSTSHRTHRBDNM1
SCHEMBL16936158 1.00 SMPD1 (0.45) SMPD1FDPSTSHRTHRBDNM1
SCHEMBL11804284 0.91 DNM1 (0.56) SMPD1FDPSTSHRDNM1MEN1
SCHEMBL11795653 0.91 DNM1 (0.56) SMPD1FDPSTSHRDNM1MEN1
SCHEMBL2232460 0.91 DNM1 (0.56) SMPD1FDPSTSHRDNM1MEN1
SCHEMBL10707783 0.91 DNM1 (0.44) SMPD1FDPSTSHRTHRBDNM1
Bromide SCHEMBL17180402 0.88 SMPD1 (0.41) SMPD1FDPSTSHRTHRBDNM1
SCHEMBL11803315 0.88 FDPS (0.42) SMPD1FDPSTSHRTHRBDNM1
SCHEMBL1433957 0.86 SMPD1 (0.50) SMPD1FDPSTSHRTHRBDNM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2067770-B1 PROCESS FOR PRODUCTION OF SULFONIC ACID ESTER WAKO PURE CHEM IND LTD (JP) 2017-04-12 EP disclosed
EP-2602856-B1 NONAQUEOUS ELECTROLYTE SOLUTION AND NONAQUEOUS ELECTROLYTE BATTERY USING SAME WAKO PURE CHEM IND LTD (JP) 2017-02-22 EP disclosed
US-9257720-B2 Nonaqueous electrolyte solution and nonaqueous electrolyte battery using same WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2016-02-09 US disclosed
US-9190695-B2 Nonaqueous electrolyte solution, method for producing same, and nonaqueous electrolyte battery using the electrolyte solution WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2015-11-17 US disclosed
EP-2602855-B1 NONAQUEOUS ELECTROLYTE SOLUTION, METHOD FOR PRODUCING SAME, AND NONAQUEOUS ELECTROLYTE BATTERY USING THE ELECTROLYTE SOLUTION WAKO PURE CHEM IND LTD (JP) 2015-02-18 EP disclosed
EP-2602856-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND NONAQUEOUS ELECTROLYTE BATTERY USING SAME Wako Pure Chemical Industries, Ltd. (JP) 2013-06-12 EP disclosed
EP-2602855-A1 NONAQUEOUS ELECTROLYTE SOLUTION, METHOD FOR PRODUCING SAME, AND NONAQUEOUS ELECTROLYTE BATTERY USING THE ELECTROLYTE SOLUTION Wako Pure Chemical Industries, Ltd. (JP) 2013-06-12 EP disclosed
US-20130143129-A1 NONAQUEOUS ELECTROLYTE SOLUTION, METHOD FOR PRODUCING SAME, AND NONAQUEOUS ELECTROLYTE BATTERY USING THE ELECTROLYTE SOLUTION WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2013-06-06 US disclosed
US-20130130128-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND NONAQUEOUS ELECTROLYTE BATTERY USING SAME WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2013-05-23 US disclosed
US-8269038-B2 Process for production of sulfonic acid ester WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2012-09-18 US disclosed
US-20100041916-A1 PROCESS FOR PRODUCTION OF SULFONIC ACID ESTER WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2010-02-18 US disclosed
EP-2067770-A1 PROCESS FOR PRODUCTION OF SULFONIC ACID ESTER Wako Pure Chemical Industries, Ltd. (JP) 2009-06-10 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 (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-20100041916-A1 PROCESS FOR PRODUCTION OF SULFONIC ACID ESTER SULT1A1, SULT2A1, STS SMPD1 1403/4885FDPS 656/4885TSHR 1491/4885

“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.