SCHEMBL20448299

SCHEMBL20448299

O=C(O)CSc1cc(Br)ccc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 1/20 0.50
PTPRG P23470 1/20 0.50
KDM4E B2RXH2 1/20 0.46
PRNP P04156 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
CYP1A2 P05177 1/20 0.42
TDP1 Q9NUW8 2/20 0.41
MCL1 Q07820 3/20 0.41
GRK6 P43250 1/20 0.41
LMNA P02545 2/20 0.40
ALDH1A1 P00352 2/20 0.40
RGS12 O14924 1/20 0.40
APOBEC3A P31941 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
FFAR1 O14842 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
BCL2 P10415 2/20 0.40
BCL2L1 Q07817 2/20 0.40
BCL2A1 Q16548 2/20 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
SCHEMBL30714288 0.83 MAPT (0.48) PTPRCPTPRGKDM4ECYP1A2TDP1
SCHEMBL4273513 0.82 TDP1 (0.57) KDM4EPRNPRXFP1CYP1A2TDP1
Hydrochloric Acid SCHEMBL11867344 0.81 TDP1 (0.56) KDM4EPRNPRXFP1CYP1A2TDP1
SCHEMBL5423313 0.79 PKM (0.44) KDM4ECYP1A2TDP1MCL1GRK6
SCHEMBL29093342 0.76 CYP1A2 (0.46) KDM4ECYP1A2TDP1MCL1GRK6
SCHEMBL5506194 0.76 LIG1 (0.47) KDM4EPRNPRXFP1CYP1A2MCL1
SCHEMBL11726194 0.76 SMN1; SMN2 (0.51) PTPRCPTPRGALDH1A1FFAR1GAA
SCHEMBL1157659 0.74 CYP1A2 (0.61) KDM4ECYP1A2ALDH1A1FFAR1GAA
SCHEMBL29812491 0.74 CYP1A2 (0.61) KDM4ECYP1A2ALDH1A1FFAR1GAA
SCHEMBL7020250 0.73 ALDH1A1 (0.53) KDM4ECYP1A2TDP1GRK6LMNA

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-20180265467-A1 PYRAZOLIDINE DERIVATIVES AND RELATED COMPOUNDS SELVITA S.A. (PL) 2018-09-20 US disclosed
EP-3356331-A1 PYRAZOLIDINE DERIVATIVES AND RELATED COMPOUNDS Selvita S.A. (PL) 2018-08-08 EP 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-20180265467-A1 PYRAZOLIDINE DERIVATIVES AND RELATED COMPOUNDS LDHB, LDHA, PDK1 PTPRC 2793/4885PTPRG 2644/4885KDM4E 3298/4885

“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.