SCHEMBL21230508

SCHEMBL21230508

O=Cc1cc(Br)cc(Br)c1S

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ERN1 O75460 5/20 0.57
▸ PTPN1 P18031 2/20 0.41
▸ PRKDC P78527 1/20 0.36
▸ CYP2A6 P11509 3/20 0.36
▸ CYP3A4 P08684 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ PTGDR2 Q9Y5Y4 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.31
▸ PIM3 Q86V86 1/20 0.30
▸ GABRA1 P14867 1/20 0.30
▸ GABRB1 P18505 1/20 0.30
▸ GABRA2 P47869 1/20 0.30
▸ GABRB2 P47870 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
SCHEMBL14877160 0.76 ERN1 (0.61) ERN1PTPN1PRKDCCYP2A6CYP3A4
SCHEMBL6900735 0.76 ERN1 (0.61) ERN1PTPN1PRKDCCYP2A6CYP3A4
SCHEMBL10496045 0.74 ERN1 (0.59) ERN1PTPN1PRKDCCYP2A6CYP3A4
SCHEMBL3189217 0.74 TDP1 (0.47) ERN1CYP3A4TSHRTDP1LMNA
SCHEMBL285148 0.73 ERN1 (0.57) ERN1PTPN1PRKDCCYP2A6CYP3A4
SCHEMBL1592418 0.73 ERN1 (0.57) ERN1PTPN1PRKDCCYP2A6CYP3A4
SCHEMBL2120180 0.73 ERN1 (1.00) ERN1CYP3A4TSHRTDP1LMNA
SCHEMBL29371317 0.73 ERN1 (1.00) ERN1CYP3A4TSHRTDP1LMNA
SCHEMBL27987006 0.73 ERN1 (0.57) ERN1PTPN1PRKDCCYP2A6CYP3A4
SCHEMBL29353535 0.73 ERN1 (0.57) ERN1PTPN1PRKDCCYP2A6CYP3A4

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-11760773-B2 Small molecule drug conjugates of gemcitabine monophosphate MAVERIX ONCOLOGY, INC. (US) 2023-09-19 — — US disclosed
US-11760773-B2 Small molecule drug conjugates of gemcitabine monophosphate MAVERIX ONCOLOGY, INC. (US) 2023-09-19 — — US disclosed
WO-2019152955-A9 SMALL MOLECULE DRUG CONJUGATES OF GEMCITABINE MONOPHOSPHATE EVERETT STEVEN ALBERT (US) 2020-08-13 — — WO disclosed
WO-2019152955-A1 SMALL MOLECULE DRUG CONJUGATES OF GEMCITABINE MONOPHOSPHATE EVERETT STEVEN ALBERT (US) 2019-08-08 — — WO disclosed
WO-2019152911-A1 NOVEL SMALL MOLECULE DRUG CONJUGATES OF GEMCITABINE DERIVATIVES EVERETT STEVEN ALBERT (US) 2019-08-08 — — 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-11760773-B2 Small molecule drug conjugates of gemcitabine monophosphate ZYX, SLC7A5, GMPS ERN1 2708/4885PTPN1 1903/4885PRKDC 1668/4885

“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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