SCHEMBL9983998

SCHEMBL9983998

O=C(CN1CCCC1C(=O)O)N[C@@H](COCc1ccccc1)C(=O)Nc1ccc(Oc2ccc(F)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 10/20 0.58
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
HPGD P15428 1/20 0.43
CCKBR P32239 1/20 0.43
THRB P10828 1/20 0.43
ALOX12 P18054 1/20 0.43
TACR2 P21452 1/20 0.42
UGCG Q16739 1/20 0.41
TACR1 P25103 1/20 0.41
MMEL1 Q495T6 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
SCHEMBL9984002 1.00 S1PR1 (0.58) S1PR1KMT2AMEN1HPGDCCKBR
SCHEMBL27840861 0.90 S1PR1 (0.58) S1PR1KMT2AMEN1HPGDCCKBR
SCHEMBL1373220 0.90 S1PR1 (0.58) S1PR1KMT2AMEN1HPGDCCKBR
SCHEMBL1375658 0.90 S1PR1 (0.53) S1PR1KMT2AMEN1HPGDCCKBR
SCHEMBL1375660 0.90 S1PR1 (0.53) S1PR1KMT2AMEN1HPGDCCKBR
SCHEMBL1375663 0.90 S1PR1 (0.53) S1PR1KMT2AMEN1HPGDCCKBR
SCHEMBL1372968 0.90 S1PR1 (0.57) S1PR1KMT2AMEN1HPGDCCKBR
SCHEMBL1372404 0.86 S1PR1 (0.64) S1PR1KMT2AMEN1HPGDTHRB
SCHEMBL1372408 0.86 S1PR1 (0.64) S1PR1KMT2AMEN1HPGDTHRB
SCHEMBL1375566 0.85 S1PR1 (0.54) S1PR1KMT2AMEN1HPGDCCKBR

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-8802692-B2 Synergistic effects between sphingosine-1-phosphate receptor antagonists and antimicrotubule agents EXELIXIS, INC. (US) 2014-08-12 US disclosed
US-20110301188-A1 Synergistic Effects Between Sphingosine-1-Phosphate Receptor Antagonists and Antimicrotubule Agents EXELIXIS, INC. (US) 2011-12-08 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-20110301188-A1 Synergistic Effects Between Sphingosine-1-Phosphate Receptor Antagonists and Antimicrotubule Agents S1PR1, S1PR3, S1PR2 S1PR1 1/4885KMT2A 4096/4885MEN1 1105/4885

“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.