SCHEMBL1323670

SCHEMBL1323670

Cc1ccc(S(=O)(=O)O)cc1.O=C(OCc1ccccc1)[C@@H]1CCCN1

nearest known ligand 0.51

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 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.51
CA1 P00915 5/20 0.49
CA2 P00918 5/20 0.49
LMNA P02545 1/20 0.46
MAPT P10636 2/20 0.44
HTR2C P28335 1/20 0.43
HTR2B P41595 1/20 0.43
FKBP1A P62942 2/20 0.43
HPGD P15428 1/20 0.42
ELANE P08246 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL1323668 1.00 TSHR (0.51) TSHRCA1CA2LMNAMAPT
SCHEMBL9699519 0.97 TSHR (0.50) TSHRCA1CA2LMNAMAPT
SCHEMBL6601053 0.87 MAPT (0.48) MAPTHPGDMEN1KMT2AKDM4E
SCHEMBL11607523 0.86 CA1 (0.47) TSHRCA1CA2LMNAMAPT
Dimethyl Sulfone SCHEMBL8750580 0.86 TSHR (0.60) TSHRCA1CA2HTR2CHTR2B
SCHEMBL29011009 0.85 TSHR (0.50) TSHRHTR2CHTR2BHPGDKDM4E
SCHEMBL630517 0.85 TSHR (0.63) TSHRHTR2CHTR2BFKBP1AELANE
SCHEMBL693351 0.85 TSHR (0.63) TSHRHTR2CHTR2BFKBP1AELANE
SCHEMBL4069956 0.85 TSHR (0.63) TSHRHTR2CHTR2BFKBP1AELANE
Hydrochloric Acid SCHEMBL630516 0.83 TSHR (0.65) TSHRHTR2CHTR2BFKBP1AELANE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8057810-B2 Peptide substance revealing an immunogeroprotective effect, pharmaceutical composition on its base and the method of its application Obschestvo S Ogranichennoi Otvetstvennostyu “SIA Peptides” (RU) 2011-11-15 US disclosed
EP-2032595-B1 PEPTIDE SUBSTANCE REVEALING AN IMMUNOGEROPROTECTIVE EFFECT, PHARMACEUTICAL COMPOSITION ON ITS BASE AND THE METHOD OF ITS APPLICATION OBSCHESTVO S OGRANICHENNOI OTVETSTVENNOSTYU SIA PEPTIDES (RU) 2011-06-22 EP disclosed
US-20090170785-A1 PEPTIDE SUBSTANCE REVEALING AN IMMUNOGEROPROTECTIVE EFFECT, PHARMACEUTICAL COMPOSITION ON ITS BASE AND THE METHOD OF ITS APPLICATION OBSCHESTVO S OGRANICHENNOI OTVETSTVENNOSTYU 'SIA PEPTIDES' (RU) 2009-07-02 US disclosed
EP-2032595-A1 PEPTIDE SUBSTANCE REVEALING AN IMMUNOGEROPROTECTIVE EFFECT, PHARMACEUTICAL COMPOSITION ON ITS BASE AND THE METHOD OF ITS APPLICATION Obschestvo S Ogranichennoi Otvetstvennostyu "sia Peptides" (RU) 2009-03-11 EP disclosed
WO-2007139435-A1 PEPTIDE SUBSTANCE REVEALING AN IMMUNOGEROPROTECTIVE EFFECT, PHARMACEUTICAL COMPOSITION ON ITS BASE AND THE METHOD OF ITS APPLICATION OBSCHESTVO S OGRANICHENNOI OTVETSVENNOSTYU 'SIA PEPTIDES' (RU) 2007-12-06 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 (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-20090170785-A1 PEPTIDE SUBSTANCE REVEALING AN IMMUNOGEROPROTECTIVE EFFECT, PHARMACEUTICAL COMPOSITION ON ITS BASE AND THE METHOD OF ITS APPLICATION VIP, ARGLU1, ARG1 TSHR 4042/4885CA1 3457/4885CA2 4245/4885

“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.