SCHEMBL2464110

SCHEMBL2464110

CCCCCCCOc1ccc(C=CC(N)(CO)CO)cc1C(F)(F)F

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 5/20 0.58
THRA P10827 3/20 0.47
THRB P10828 3/20 0.47
S1PR4 O95977 2/20 0.43
S1PR5 Q9H228 2/20 0.43
SPHK2 Q9NRA0 2/20 0.39
CHUK O15111 1/20 0.39
DAPK3 O43293 1/20 0.39
JAK2 O60674 1/20 0.39
ROCK2 O75116 1/20 0.39
PRKCG P05129 1/20 0.39
CDK1 P06493 1/20 0.39
PIM1 P11309 1/20 0.39
RPS6KB1 P23443 1/20 0.39
CDK2 P24941 1/20 0.39
AKT1 P31749 1/20 0.39
AKT2 P31751 1/20 0.39
MAPKAPK2 P49137 1/20 0.39
BLK P51451 1/20 0.39
RPS6KA3 P51812 1/20 0.39

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
SCHEMBL2463696 1.00 S1PR1 (0.58) S1PR1THRATHRBS1PR4S1PR5
Hydrochloric Acid SCHEMBL2465196 0.99 S1PR1 (0.57) S1PR1THRATHRBS1PR4S1PR5
Hydrochloric Acid SCHEMBL2465189 0.99 S1PR1 (0.57) S1PR1THRATHRBS1PR4S1PR5
SCHEMBL2467022 0.89 S1PR1 (0.50) S1PR1THRATHRBS1PR4S1PR5
SCHEMBL2469776 0.89 S1PR1 (0.50) S1PR1THRATHRBS1PR4S1PR5
SCHEMBL12337624 0.88 S1PR1 (0.55) S1PR1THRATHRBS1PR4S1PR5
SCHEMBL80369 0.82 S1PR1 (0.43) S1PR1S1PR4S1PR5
SCHEMBL80370 0.82 S1PR1 (0.43) S1PR1S1PR4S1PR5
Hydrochloric Acid SCHEMBL80525 0.81 S1PR1 (0.43) S1PR1S1PR4S1PR5
Hydrochloric Acid SCHEMBL80526 0.81 S1PR1 (0.43) S1PR1S1PR4S1PR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8809304-B2 Amine compound and use thereof for medical purposes MITSUBISHI TANABE PHARMA CORPORATION (JP) 2014-08-19 US claimed
EP-1961734-B1 AMINE COMPOUND AND USE THEREOF FOR MEDICAL PURPOSES MITSUBISHI TANABE PHARMA CORP (JP) 2011-09-14 EP claimed
US-20090137530-A1 Amine Compound and Use Thereof for Medical Purposes MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-05-28 US claimed
EP-1961734-A1 AMINE COMPOUND AND USE THEREOF FOR MEDICAL PURPOSES Mitsubishi Tanabe Pharma Corporation (JP) 2008-08-27 EP claimed
US-20140296183-A1 AMINE COMPOUND AND USE THEREOF FOR MEDICAL PURPOSES MITSUBISHI TANABE PHARMA CORP (JP) 2014-10-02 US disclosed
US-8809304-B2 Amine compound and use thereof for medical purposes MITSUBISHI TANABE PHARMA CORPORATION (JP) 2014-08-19 US disclosed
EP-1961734-B1 AMINE COMPOUND AND USE THEREOF FOR MEDICAL PURPOSES MITSUBISHI TANABE PHARMA CORP (JP) 2011-09-14 EP disclosed
US-20090137530-A1 Amine Compound and Use Thereof for Medical Purposes MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-05-28 US disclosed
EP-1961734-A1 AMINE COMPOUND AND USE THEREOF FOR MEDICAL PURPOSES Mitsubishi Tanabe Pharma Corporation (JP) 2008-08-27 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 (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-20090137530-A1 Amine Compound and Use Thereof for Medical Purposes HRH3, HRH2, HRH4 S1PR1 370/4885THRA 705/4885THRB 536/4885
US-20140296183-A1 AMINE COMPOUND AND USE THEREOF FOR MEDICAL PURPOSES HRH3, HRH2, HRH4 S1PR1 370/4885THRA 705/4885THRB 536/4885

“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.