SCHEMBL1313079

SCHEMBL1313079

O=C(O)c1cc(F)c(O)c(I)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TPMT P51580 2/20 0.56
▸ CA12 O43570 3/20 0.52
▸ CA1 P00915 3/20 0.52
▸ CA2 P00918 3/20 0.52
▸ CA7 P43166 3/20 0.52
▸ CA9 Q16790 3/20 0.52
▸ CA14 Q9ULX7 3/20 0.52
▸ LMNA P02545 3/20 0.52
▸ ALDH1A1 P00352 2/20 0.52
▸ CA3 P07451 2/20 0.52
▸ CA4 P22748 2/20 0.52
▸ CA6 P23280 2/20 0.52
▸ CA5A P35218 2/20 0.52
▸ CA5B Q9Y2D0 2/20 0.52
▸ KDM4E B2RXH2 2/20 0.52
▸ MAPK1 P28482 2/20 0.52
▸ HSD17B10 Q99714 2/20 0.52
▸ TP53 P04637 1/20 0.52
▸ MAPT P10636 1/20 0.52
▸ SELL P14151 1/20 0.52

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
SCHEMBL28129196 0.85 EYA3 (0.39) TPMTLMNATTRERN1
SCHEMBL1613916 0.84 TPMT (0.68) TPMTCA12CA1CA2CA7
SCHEMBL4365047 0.84 CA12 (0.64) TPMTCA12CA1CA2CA7
SCHEMBL23815308 0.81 TPMT (0.58) TPMTCA12CA1CA2CA7
SCHEMBL9787632 0.80 CA12 (0.73) TPMTCA12CA1CA2CA7
SCHEMBL31297436 0.78 TPMT (0.54) TPMTCA12CA1CA2CA7
SCHEMBL16064373 0.78 TPMT (0.54) TPMTCA12CA1CA2CA7
SCHEMBL30601711 0.78 TPMT (0.54) TPMTCA12CA1CA2CA7
SCHEMBL1233792 0.78 TPMT (0.54) TPMTCA12CA1CA2CA7
SCHEMBL1312438 0.77 KDM4E (0.58) TPMTCA12CA1CA2CA7

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-20110275673-A1 INHIBITORS OF SPHINGOSINE KINASE 1 GENZYME CORPORATION 2011-11-10 — — US disclosed
WO-2010033701-A2 INHIBITORS OF SPHINGOSINE KINASE 1 GENZYME CORPORATION (US) 2010-03-25 — — 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-20110275673-A1 INHIBITORS OF SPHINGOSINE KINASE 1 SPHK1, SPHK2, S1PR1 TPMT 447/4885CA12 4670/4885CA1 4262/4885

“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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