SCHEMBL18485074

SCHEMBL18485074

CS(=O)(=O)OCc1cnn(C2CCCCO2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM5B Q9UGL1 1/20 0.38
▸ CYP4F2 P78329 6/20 0.35
▸ CYP4A11 Q02928 6/20 0.35
▸ FLT3 P36888 2/20 0.34
▸ SYK P43405 1/20 0.34
▸ AURKB Q96GD4 1/20 0.34
▸ FGFR1 P11362 2/20 0.33
▸ FGFR2 P21802 1/20 0.33
▸ FGFR4 P22455 1/20 0.33
▸ FGFR3 P22607 1/20 0.33
▸ KDR P35968 1/20 0.33
▸ RXRA P19793 1/20 0.33
▸ RXRB P28702 1/20 0.33
▸ RXRG P48443 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ DAGLB Q8NCG7 1/20 0.32
▸ MCL1 Q07820 1/20 0.30
▸ GPR119 Q8TDV5 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
SCHEMBL15286385 0.83 KDM5B (0.39) KDM5BCYP4F2CYP4A11FLT3SYK
SCHEMBL18485075 0.80 KDM5B (0.39) KDM5BCYP4F2CYP4A11FLT3SYK
SCHEMBL31510377 0.79 KDM5B (0.40) KDM5BCYP4F2CYP4A11FLT3SYK
SCHEMBL31413798 0.76 ALDH1A1 (0.33) KDM5BCYP4F2CYP4A11ALDH1A1POLB
SCHEMBL29525193 0.76 KDM5B (0.40) KDM5BCYP4F2CYP4A11FLT3SYK
SCHEMBL22774288 0.76 KDM5B (0.40) KDM5BCYP4F2CYP4A11FLT3SYK
SCHEMBL13035401 0.76 GABRA1 (0.39) KDM5BCYP4F2CYP4A11FLT3SYK
SCHEMBL878011 0.76 KDM5B (0.38) KDM5BCYP4F2CYP4A11FLT3SYK
SCHEMBL25251923 0.76 CD274 (0.38) CYP4F2CYP4A11ATR
SCHEMBL31562893 0.76 RXRA (0.42) KDM5BCYP4F2CYP4A11FLT3SYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107922379-B Substituted guanidine derivatives 宇部兴产株式会社 2020-11-06 — — CN disclosed
US-10759781-B2 Substituted guanidine derivatives UBE INDUSTRIES, LTD. (JP) 2020-09-01 — — US disclosed
US-20190152953-A1 SUBSTITUTED GUANIDINE DERIVATIVES UBE INDUSTRIES, LTD. (JP) 2019-05-23 — — US disclosed
EP-3333163-A1 SUBSTITUTED GUANIDINE DERIVATIVE UBE Industries, Ltd. (JP) 2018-06-13 — — EP disclosed
EP-3333163-A1 SUBSTITUTED GUANIDINE DERIVATIVE UBE Industries, Ltd. (JP) 2018-06-13 — — EP disclosed
WO-2017022861-A1 SUBSTITUTED GUANIDINE DERIVATIVE 宇部興産株式会社 2017-02-09 — — WO 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-10759781-B2 Substituted guanidine derivatives GMPS, GUCY1A1, GUCY1A2 KDM5B 774/4885CYP4F2 1113/4885CYP4A11 419/4885
US-20190152953-A1 SUBSTITUTED GUANIDINE DERIVATIVES GMPS, GUCY1A1, GUCY1A2 KDM5B 774/4885CYP4F2 1113/4885CYP4A11 419/4885

“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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