SCHEMBL20337795

SCHEMBL20337795

Cc1ccc(S(=O)(=O)O)cc1.Cc1ccc(S(=O)(=O)O)cc1.Cn1nc(-c2ccc(-c3cn4c(n3)CCC(N)C4)cc2)cc1C(F)(F)F

nearest known ligand 0.37

Known targets — ChEMBL curated mechanism

ABL1BMXBRAFBTKCHRNA4CHRNB2CSNK1EEGFRERBB2F10FLT1FLT3FLT4IGF1RINSRITKJAK3KDRKITOPRM1PARP1PARP2PDGFRBPIK3CDRAF1RETSLC18A2TECTXKdacAdacBdacCftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ RPS6KA5 O75582 1/20 0.37
▸ RPS6KA4 O75676 1/20 0.37
▸ RPS6KB1 P23443 1/20 0.37
▸ RPS6KA3 P51812 1/20 0.37
▸ RPS6KA2 Q15349 1/20 0.37
▸ RPS6KA1 Q15418 1/20 0.37
▸ RPS6KB2 Q9UBS0 1/20 0.37
▸ RPS6KA6 Q9UK32 1/20 0.37
▸ PTGER1 P34995 1/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ HPGD P15428 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ HDAC3 O15379 2/20 0.36
▸ HDAC4 P56524 2/20 0.36
▸ HDAC1 Q13547 2/20 0.36
▸ HDAC7 Q8WUI4 2/20 0.36
▸ HDAC2 Q92769 2/20 0.36
▸ HDAC10 Q969S8 2/20 0.36

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
SCHEMBL20337721 0.90 RPS6KA5 (0.37) ALDH1A1LMNARPS6KA5RPS6KA4RPS6KB1
SCHEMBL20337612 0.90 RPS6KA5 (0.37) ALDH1A1LMNARPS6KA5RPS6KA4RPS6KB1
SCHEMBL18281473 0.86 SMPD3 (0.38) ALDH1A1LMNARPS6KA5RPS6KA4RPS6KB1
SCHEMBL18281471 0.85 ALDH1A1 (0.55) ALDH1A1LMNAPTGER1HSD17B10HPGD
SCHEMBL18281442 0.79 WDR5 (0.42) ALDH1A1LMNAHDAC3HDAC4HDAC1
SCHEMBL20337606 0.79 HSD17B10 (0.39) ALDH1A1LMNARPS6KA5RPS6KA4RPS6KB1
SCHEMBL20337758 0.78 HDAC3 (0.36) ALDH1A1PTGER1HSD17B10HPGDHTT
SCHEMBL18281443 0.77 ALDH1A1 (0.42) ALDH1A1LMNAPTGER1HSD17B10HPGD
SCHEMBL20337611 0.76 KHK (0.34) ALDH1A1LMNAPTGER1HSD17B10HPGD
Hydrochloric Acid SCHEMBL20337635 0.75 LMNA (0.34) ALDH1A1LMNAHPGDHTTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10933049-B2 Mobilizing agents and uses therefor THE UNIVERSITY OF QUEENSLAND (AU) 2021-03-02 — — US disclosed
US-20180185328-A1 MOBILIZING AGENTS AND USES THEREFOR THE UNIVERSITY OF QUEENSLAND (AU) 2018-07-05 — — 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 (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-20180185328-A1 MOBILIZING AGENTS AND USES THEREFOR C3AR1, CSF3R, C5AR1 ALDH1A1 2492/4885LMNA 3889/4885RPS6KA5 2540/4885
US-10933049-B2 Mobilizing agents and uses therefor C3AR1, CSF3R, C5AR1 ALDH1A1 2492/4885LMNA 3889/4885RPS6KA5 2540/4885

“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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