SCHEMBL7056060

SCHEMBL7056060

Oc1ccc(-c2cccs2)cc1F

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ERN1 O75460 3/20 0.58
▸ HSD17B1 P14061 7/20 0.54
▸ HSD17B2 P37059 7/20 0.54
▸ CYP3A4 P08684 1/20 0.54
▸ CYP2D6 P10635 1/20 0.54
▸ CYP2C19 P33261 1/20 0.54
▸ KCNH2 Q12809 1/20 0.50
▸ ESR1 P03372 3/20 0.47
▸ ESR2 Q92731 3/20 0.47
▸ PDK2 Q15119 1/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ MAPT P10636 1/20 0.44
▸ RPS6KB2 Q9UBS0 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43

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
SCHEMBL29744559 0.82 ERN1 (0.64) ERN1HSD17B1HSD17B2KCNH2PDK2
SCHEMBL6318301 0.82 KCNH2 (0.55) ERN1HSD17B1HSD17B2CYP3A4KCNH2
SCHEMBL6068103 0.82 ERN1 (0.64) ERN1HSD17B1HSD17B2KCNH2PDK2
SCHEMBL17049365 0.81 ERN1 (0.62) ERN1KCNH2PDK2RPS6KB2
SCHEMBL29945114 0.79 KCNH2 (0.52) ERN1CYP3A4KCNH2ESR1ESR2
SCHEMBL6744197 0.79 KCNH2 (0.52) ERN1CYP3A4KCNH2ESR1ESR2
SCHEMBL1065997 0.78 KCNH2 (0.70) ERN1KCNH2KDM4EMAPTLMNA
SCHEMBL22578266 0.78 KCNH2 (0.50) ERN1CYP3A4KCNH2PDK2KDM4E
SCHEMBL172744 0.78 ERN1 (0.58) ERN1HSD17B1HSD17B2CYP3A4CYP2D6
SCHEMBL27740028 0.78 KCNH2 (0.50) ERN1CYP3A4KCNH2PDK2KDM4E

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-20030060473-A1 Piperazine compounds as inhibitors of MMP or TNF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-03-27 — — US disclosed
US-6489324-B2 TREATING STROKE, ARHTRITIS, CANCER, TISSUE ULCERATION, DECUBITIS ULCER, RESTENOSIS, PERIODONTAL DISEASE, EPIDERMOLYSIS BULLOSA, SCLERITIS, PSORIASIS, AIDS, SEPSIS, AND SEPTIC SHOCK. FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-12-03 — — US disclosed
US-6333324-B1 FOR THERAPY AND PROPHYLAXIS OF MATRIX METALLOPROTEINASES (MMP) OR TUMOR NECROSIS FACTOR .ALPHA. (TNF.ALPHA.), MEDIATED DISEASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-12-25 — — US disclosed
EP-0948489-A1 PIPERAZINE COMPOUNDS AS INHIBITORS OF MMP OR TNF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-10-13 — — EP disclosed
WO-1998027069-A1 PIPERAZINE COMPOUNDS AS INHIBITORS OF MMP OR TNF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-06-25 — — 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 (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-20030060473-A1 Piperazine compounds as inhibitors of MMP or TNF MMP2, MMP1, TNF ERN1 2730/4885HSD17B1 395/4885HSD17B2 321/4885

“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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