SCHEMBL9621818

SCHEMBL9621818

O=S(=O)(O)c1cc(Cl)c[c]c1O

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 1/20 0.37
MMP14 P50281 1/20 0.37
CASP6 P55212 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CASR P41180 4/20 0.33
F2 P00734 2/20 0.33
PRSS1 P07477 2/20 0.33
PRSS2 P07478 2/20 0.33
PRSS3 P35030 2/20 0.33
ACLY P53396 1/20 0.33
ALDH1A1 P00352 1/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
POLB P06746 1/20 0.30

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
SCHEMBL6633598 0.81 LMNA (0.37) ALDH1A1CASP1CASP7HSD17B10TDP1
SCHEMBL3917232 0.79 LMNA (0.37) NSD2CASP6ALDH1A1CASP1CASP7
SCHEMBL9621749 0.73 NT5E (0.43) NSD2CASP6ALDH1A1HSD17B10TDP1
SCHEMBL9950648 0.72 CA1 (0.45) NSD2MMP14CASP6CA1CA2
SCHEMBL7048605 0.71 CA1 (0.33) NSD2MMP14CASP6CA1CA2
SCHEMBL9951728 0.70 CA1 (0.43) NSD2MMP14CASP6CA1CA2
SCHEMBL5434170 0.70 CA1 (0.43) NSD2MMP14CASP6CA1CA2
SCHEMBL7041141 0.70 ENPP2 (0.48) CA1CA2ALDH1A1TDP1
SCHEMBL11337530 0.69 LMNA (0.35) CASP6CA1CA2ALDH1A1CASP1
SCHEMBL5077891 0.69 CA1 (0.42) NSD2MMP14CASP6CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0278910-B1 HEAVY METAL COMPLEX DYESTUFFS, THEIR PREPARATION AND THEIR USE CIBA-GEIGY AG (CH) 1992-01-22 EP claimed
US-RE49569-E1 Alkylamine derivative EA PHARMA CO., LTD. (JP) 2023-07-04 US disclosed
EP-2546231-B1 ALKYLAMINE DERIVATIVE EA PHARMA CO LTD (JP) 2018-11-07 EP disclosed
US-9561216-B2 Alkylamine derivative EA PHARMA CO., LTD. (JP) 2017-02-07 US disclosed
US-20160101091-A1 ALKYLAMINE DERIVATIVE AJINOMOTO CO., INC. (JP) 2016-04-14 US disclosed
US-9253997-B2 Alkylamine derivative AJINOMOTO CO., INC. (JP) 2016-02-09 US disclosed
US-9150505-B2 Prophylactic or therapeutic agent for diabetes or obesity AJINOMOTO CO., INC. (JP) 2015-10-06 US disclosed
CN-102781910-B alkylamine derivatives AJINOMOTO KK 2015-03-11 CN disclosed
US-20130237702-A1 ALKYLAMINE DERIVATIVE AJINOMOTO CO., INC. (JP) 2013-09-12 US disclosed
US-20130072491-A1 PROPHYLACTIC OR THERAPEUTIC AGENT FOR DIABETES OR OBESITY AJINOMOTO CO., INC. (JP) 2013-03-21 US disclosed
EP-2546231-A1 ALKYLAMINE DERIVATIVE Ajinomoto Co., Inc. (JP) 2013-01-16 EP disclosed
EP-2543660-A1 PROPHYLACTIC OR THERAPEUTIC AGENT FOR DIABETES OR OBESITY Ajinomoto Co., Inc. (JP) 2013-01-09 EP disclosed
US-4960870-A DYEING WOOL, POLYAMIDES; FIBER REACTIVE DYES CIBA-GEIGY CORPORATION (US) 1990-10-02 US disclosed
US-4248771-A FOR DYEING AND PRINTING BAYER AKTIENGESELLSCHAFT (DE) 1981-02-03 US disclosed
US-4150942-A DYE LEATHER GRAY SANDOZ LTD. (CH) 1979-04-24 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 (3 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-20130072491-A1 PROPHYLACTIC OR THERAPEUTIC AGENT FOR DIABETES OR OBESITY CASR, GPR119, GLP1R NSD2 3648/4885MMP14 1635/4885CASP6 1826/4885
US-20160101091-A1 ALKYLAMINE DERIVATIVE CASR, TAAR5, TAAR1 NSD2 1189/4885MMP14 4040/4885CASP6 1829/4885
US-20130237702-A1 ALKYLAMINE DERIVATIVE CASR, TAAR5, TAAR1 NSD2 1189/4885MMP14 4040/4885CASP6 1829/4885

“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.