SCHEMBL1705569

SCHEMBL1705569

CCOC(=O)c1nc(C)nc(OC(=O)c2ccc(C)cc2)c1CC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TARBP2 Q15633 1/20 0.43
SLC2A1 P11166 1/20 0.43
KMT2A Q03164 2/20 0.42
GAA P10253 2/20 0.42
ELANE P08246 1/20 0.42
MAPT P10636 4/20 0.41
ALDH1A1 P00352 4/20 0.41
NOD2 Q9HC29 2/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
ESR1 P03372 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
ESR2 Q92731 1/20 0.41
CA14 Q9ULX7 1/20 0.41
HTT P42858 2/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 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
SCHEMBL1705570 0.83 RAB9A (0.46) TARBP2GAAMAPTALDH1A1HTT
SCHEMBL1706897 0.80 KMT2A (0.38) SLC2A1KMT2AGAAMAPTALDH1A1
SCHEMBL1705572 0.79 ADRB2 (0.38) SLC2A1KMT2AGAAMAPTALDH1A1
SCHEMBL4116354 0.76 ELANE (0.46) TARBP2KMT2AGAAELANEMAPT
SCHEMBL235800 0.72 CA2 (0.73) KMT2AGAAMAPTALDH1A1CA12
SCHEMBL1706091 0.71 CYP1A2 (0.41) TARBP2SLC2A1GAAMAPTALDH1A1
SCHEMBL1705589 0.70 ALDH1A1 (0.41) TARBP2MAPTALDH1A1HTTCYP1A2
Hydrochloric Acid SCHEMBL28242785 0.70 CA2 (0.70) KMT2AGAAMAPTALDH1A1CA12
SCHEMBL8205439 0.70 PRSS1 (0.64) KMT2AGAAALDH1A1NOD2CA12
SCHEMBL27647500 0.68 CA1 (0.79) KMT2AMAPTALDH1A1CA12CA1

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-2177512-B1 INHIBITOR OF BINDING OF S1P1 TAISHO PHARMACEUTICAL CO LTD (JP) 2012-04-18 EP disclosed
US-8048898-B2 Inhibitor of binding of S1P1 TAISHO PHARMACEUTICAL CO., LTD (JP) 2011-11-01 US disclosed
US-20100234594-A1 INHIBITOR OF BINDING OF S1P1 TAISHO PHARMACEUTICAL CO., LTD. (JP) 2010-09-16 US disclosed
EP-2177512-A1 INHIBITOR OF BINDING OF S1P1 Taisho Pharmaceutical Co. Ltd. (JP) 2010-04-21 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-20100234594-A1 INHIBITOR OF BINDING OF S1P1 S1PR1, S1PR3, EDNRB TARBP2 3137/4885SLC2A1 1945/4885KMT2A 4149/4885

“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.