SCHEMBL2494965

SCHEMBL2494965

Oc1cccc(SOC(F)(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.41
ALDH1A1 P00352 2/20 0.41
CA2 P00918 2/20 0.41
CYP3A4 P08684 2/20 0.41
CA9 Q16790 2/20 0.41
CA14 Q9ULX7 2/20 0.41
LMNA P02545 1/20 0.41
CA5A P35218 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CA5B Q9Y2D0 1/20 0.41
CCNB2 O95067 1/20 0.35
CDK1 P06493 1/20 0.35
CDK4 P11802 1/20 0.35
CCNB1 P14635 1/20 0.35
CCND1 P24385 1/20 0.35
CCNB3 Q8WWL7 1/20 0.35
HSD17B1 P14061 6/20 0.34
HSD17B2 P37059 6/20 0.34
TSHR P16473 1/20 0.34
CYP2C9 P11712 1/20 0.34

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
SCHEMBL5028403 0.77 ALDH1A1 (0.50) CA12ALDH1A1CA2CYP3A4CA9
SCHEMBL7533197 0.77
SCHEMBL7529619 0.75 NR1H2 (0.44) CA12ALDH1A1CA2CYP3A4CA9
SCHEMBL23522669 0.74 MAPT (0.39) ALDH1A1LMNAHSD17B10TSHRCYP2C9
SCHEMBL514189 0.74 ALDH1A1 (0.46) CA12ALDH1A1CA2CYP3A4CA9
SCHEMBL5919465 0.74 ALDH1A1 (0.46) CA12ALDH1A1CA2CYP3A4CA9
SCHEMBL7188832 0.70
SCHEMBL9985105 0.70
SCHEMBL31281467 0.69 CA12 (0.58) CA12ALDH1A1CA2CYP3A4CA9
SCHEMBL31123642 0.69 HSD17B10 (0.58) CA12ALDH1A1CA2CYP3A4CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1192178-A2 RUFOMYCINS AND DERIVATIVES THEREOF USEFUL AS INHIBITORS OF MULTI-DRUG RESISTANCE ASSOCIATED PROTEIN-1 (MRP-1) ELI LILLY AND COMPANY (US) 2002-04-03 EP claimed
WO-2000078795-A2 RUFOMYCINS AND DERIVATIVES THEREOF USEFUL AS INHIBITORS OF MULTI-DRUG RESISTANCE ASSOCIATED PROTEIN-1 (MRP-1) ELI LILLY AND COMPANY (US) 2000-12-28 WO claimed
US-8030499-B2 1,3-dihydro-2H-indole-2-one compound and pyrrolidine-2-one compound fused with aromatic heterocycle TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-10-04 US disclosed
US-20080318923-A1 1,3-Dihydro-2H-Indole-2-One Compound and Pyrrolidine-2-One Compound Fused With Aromatic Heterocycle TAISHO PHARMACEUTICAL CO., LTD. (JP) 2008-12-25 US 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-20080318923-A1 1,3-Dihydro-2H-Indole-2-One Compound and Pyrrolidine-2-One Compound Fused With Aromatic Heterocycle AVPR1B, AVPR1A, AVPR2 CA12 4013/4885ALDH1A1 2628/4885CA2 3439/4885

“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.