SCHEMBL3208978

SCHEMBL3208978

C[C@H](Oc1ccc(-c2nc(-c3ccc4[nH]cnc4c3)no2)cc1Cl)C(F)(F)F

nearest known ligand 0.68

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 18/20 0.68
PSMD11 O00231 1/20 0.46
S1PR3 Q99500 4/20 0.46
MAP4K4 O95819 1/20 0.46
PRKCD Q05655 1/20 0.46
MINK1 Q8N4C8 1/20 0.46

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
SCHEMBL12619155 1.00 S1PR1 (0.68) S1PR1PSMD11S1PR3MAP4K4PRKCD
SCHEMBL3207522 1.00 S1PR1 (0.68) S1PR1PSMD11S1PR3MAP4K4PRKCD
Hydrochloric Acid SCHEMBL3216849 0.99 S1PR1 (0.67) S1PR1PSMD11S1PR3MAP4K4PRKCD
Hydrochloric Acid SCHEMBL3195216 0.99 S1PR1 (0.67) S1PR1PSMD11S1PR3MAP4K4PRKCD
Asp-4058 SCHEMBL3195457 0.89 S1PR1 (0.86) S1PR1PSMD11S1PR3MAP4K4MINK1
Asp-4058 SCHEMBL1798268 0.89 S1PR1 (0.86) S1PR1PSMD11S1PR3MAP4K4MINK1
Asp-4058 SCHEMBL29646278 0.89 S1PR1 (0.86) S1PR1PSMD11S1PR3MAP4K4MINK1
Asp-4058 SCHEMBL3218310 0.89 S1PR1 (0.86) S1PR1PSMD11S1PR3MAP4K4MINK1
Asp-4058 SCHEMBL3219834 0.88 S1PR1 (0.84) S1PR1PSMD11S1PR3MAP4K4MINK1
Asp-4058 SCHEMBL22729322 0.88 S1PR1 (0.84) S1PR1PSMD11S1PR3MAP4K4MINK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7678820-B2 Hetero compound ASTELLAS PHARMA INC. (JP) 2010-03-16 US claimed
US-20090076070-A1 HETERO COMPOUND ASTELLAS PHARMA INC. (JP) 2009-03-19 US claimed
US-7951825-B2 Hetero compound ASTELLAS PHARMA INC. (JP) 2011-05-31 US disclosed
US-7951825-B2 Hetero compound ASTELLAS PHARMA INC. (JP) 2011-05-31 US disclosed
US-20100168159-A1 HETERO COMPOUND ASTELLAS PHARMA INC. (JP) 2010-07-01 US disclosed
US-20100168159-A1 HETERO COMPOUND ASTELLAS PHARMA INC. (JP) 2010-07-01 US disclosed
US-7678820-B2 Hetero compound ASTELLAS PHARMA INC. (JP) 2010-03-16 US disclosed
US-7678820-B2 Hetero compound ASTELLAS PHARMA INC. (JP) 2010-03-16 US disclosed
US-20090076070-A1 HETERO COMPOUND ASTELLAS PHARMA INC. (JP) 2009-03-19 US disclosed
US-20090076070-A1 HETERO COMPOUND ASTELLAS PHARMA INC. (JP) 2009-03-19 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 (2 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-20100168159-A1 HETERO COMPOUND S1PR1, ENPP2, LPAR1 S1PR1 1/4885PSMD11 2632/4885S1PR3 7/4885
US-20090076070-A1 HETERO COMPOUND S1PR1, ENPP2, LPAR1 S1PR1 1/4885PSMD11 2632/4885S1PR3 7/4885

“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.