SCHEMBL843869

SCHEMBL843869

Oc1cccc(CBr)c1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
HSPA5 P11021 1/20 0.41
IAPP P10997 1/20 0.37
ALDH1A1 P00352 2/20 0.37
ESR1 P03372 2/20 0.37
AR P10275 1/20 0.37
PNMT P11086 1/20 0.37
CYP2D6 P10635 1/20 0.37
HIF1A Q16665 1/20 0.37
ADAMTS4 O75173 1/20 0.36
EGFR P00533 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
LMNA P02545 1/20 0.36
FYN P06241 1/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
MMP8 P22894 1/20 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
SCHEMBL19839247 0.83 PNMT (0.44) TSHRALDH1A1PNMTGABRA1GABRB2
SCHEMBL9816664 0.81 HSPA5 (0.56) TSHRHSPA5ALDH1A1ESR1AR
SCHEMBL8022906 0.79 CYP3A4 (0.48) TSHRHSPA5HIF1ALMNAHPGD
SCHEMBL286832 0.79 TSHR (0.52) TSHRHSPA5ALDH1A1ESR1AR
SCHEMBL8120657 0.77 PNMT (0.37) TSHRALDH1A1PNMTHPGDGABRA1
SCHEMBL573719 0.77 GABRA1 (0.56) TSHRHSPA5IAPPESR1CA1
SCHEMBL15717687 0.77 TSHR (0.50) TSHRHSPA5ALDH1A1ESR1AR
Bromide SCHEMBL15942202 0.77 PNMT (0.58) TSHRHSPA5ALDH1A1ESR1AR
SCHEMBL1626605 0.76 IAPP (0.53) TSHRHSPA5IAPPALDH1A1CYP2D6
SCHEMBL19923207 0.76 PNMT (0.39) TSHRALDH1A1PNMTGABRA1GABRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2432776-B1 METHYL SULFANYL PYRIMIDINES USEFUL AS ANTIINFLAMMATORIES, ANALGESICS, AND ANTIEPILEPTICS UNIV LAVAL (CA) 2019-09-11 EP disclosed
EP-2432776-B1 METHYL SULFANYL PYRIMIDINES USEFUL AS ANTIINFLAMMATORIES, ANALGESICS, AND ANTIEPILEPTICS UNIV LAVAL (CA) 2019-09-11 EP disclosed
US-9315521-B2 Pyrimidines as novel therapeutic agents UNIVERSITé LAVAL (CA) 2016-04-19 US disclosed
US-9315521-B2 Pyrimidines as novel therapeutic agents UNIVERSITé LAVAL (CA) 2016-04-19 US disclosed
US-9315521-B2 Pyrimidines as novel therapeutic agents UNIVERSITé LAVAL (CA) 2016-04-19 US disclosed
US-20150225423-A1 PYRIMIDINES AS NOVEL THERAPEUTIC AGENTS UNIVERSITé LAVAL (CA) 2015-08-13 US disclosed
US-20150225423-A1 PYRIMIDINES AS NOVEL THERAPEUTIC AGENTS UNIVERSITé LAVAL (CA) 2015-08-13 US disclosed
US-20150225423-A1 PYRIMIDINES AS NOVEL THERAPEUTIC AGENTS UNIVERSITé LAVAL (CA) 2015-08-13 US disclosed
US-9040538-B2 Pyrimidines as novel therapeutic agents UNIVERSITE LAVAL (CA) 2015-05-26 US disclosed
US-9040538-B2 Pyrimidines as novel therapeutic agents UNIVERSITE LAVAL (CA) 2015-05-26 US disclosed
US-9040538-B2 Pyrimidines as novel therapeutic agents UNIVERSITE LAVAL (CA) 2015-05-26 US disclosed
EP-2432776-A1 METHYL SULFANYL PYRMIDMES USEFUL AS ANTIINFLAMMATORIES, ANALGESICS, AND ANTIEPILEPTICS Chlorion Pharma, Inc. (CA) 2012-03-28 EP disclosed
US-20100298336-A1 PYRIMIDINES AS NOVEL THERAPEUTIC AGENTS UNIVERSITE LAVAL (CA) 2010-11-25 US disclosed
US-20100298336-A1 PYRIMIDINES AS NOVEL THERAPEUTIC AGENTS UNIVERSITE LAVAL (CA) 2010-11-25 US disclosed
US-20100298336-A1 PYRIMIDINES AS NOVEL THERAPEUTIC AGENTS UNIVERSITE LAVAL (CA) 2010-11-25 US disclosed
WO-2010132999-A1 METHYL SULFANYL PYRMIDMES USEFUL AS ANTIINFLAMMATORIES, ANALGESICS, AND ANTIEPILEPTICS CHLORION PHARMA, INC. (CA) 2010-11-25 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-20100298336-A1 PYRIMIDINES AS NOVEL THERAPEUTIC AGENTS TYMS, P2RX2, TYMP TSHR 4661/4885HSPA5 2674/4885IAPP 2469/4885
US-20150225423-A1 PYRIMIDINES AS NOVEL THERAPEUTIC AGENTS TYMS, P2RX2, TYMP TSHR 4661/4885HSPA5 2674/4885IAPP 2469/4885

“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.