SCHEMBL3300631

SCHEMBL3300631

FC(F)(F)c1cccc(Sc2ccc(CCCI)c(Cl)c2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
SLC6A3 Q01959 1/20 0.41
XBP1 P17861 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
MAPT P10636 3/20 0.37
KMT2A Q03164 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
ABCG2 Q9UNQ0 1/20 0.37
AGTR1 P30556 1/20 0.37
RAB9A P51151 1/20 0.37
LRRK2 Q5S007 4/20 0.36
SIRT2 Q8IXJ6 1/20 0.36
DAO P14920 1/20 0.36
LMNA P02545 2/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
ATM Q13315 1/20 0.35

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
SCHEMBL3303741 0.92 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3XBP1KDM4E
SCHEMBL5503714 0.87 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3XBP1KDM4E
SCHEMBL3305023 0.86 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A3XBP1KDM4E
SCHEMBL1456844 0.83 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3XBP1KDM4E
SCHEMBL3308532 0.82 POLB (0.43) SLC6A2SLC6A4SLC6A3KDM4EHPGD
Hydrochloric Acid SCHEMBL1456276 0.82 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3XBP1KDM4E
SCHEMBL3580227 0.82 SIRT2 (0.40) SLC6A2SLC6A4SLC6A3XBP1KDM4E
SCHEMBL16590241 0.81 SLC6A2 (0.45) SLC6A2SLC6A4SLC6A3XBP1KDM4E
SCHEMBL5502860 0.81 S1PR1 (0.47) SLC6A2SLC6A4SLC6A3XBP1KDM4E
SCHEMBL1456658 0.81 SLC6A2 (0.39) SLC6A2SLC6A4SLC6A3XBP1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2058317-B1 AMINOPHOSPHORIC ACID ESTER DERIVATIVE AND S1P RECEPTOR MODULATOR CONTAINING THE SAME AS ACTIVE INGREDIENT KYORIN SEIYAKU KK (JP) 2013-10-16 EP disclosed
US-8476305-B2 Therapeutic agent or prophylactic agent for inflammatory bowel disease comprising amino alcohol derivative as active ingredient KYORIN PHARMACEUTICAL CO., LTD. (JP) 2013-07-02 US disclosed
US-8273748-B2 Amino alcohol derivative and immunosuppresive agent having same as an active ingredient KYORIN PHARMACEUTICAL CO., LTD. (JP) 2012-09-25 US disclosed
US-8232319-B2 Amino phosphate derivative and S1P receptor modulator having same as an active ingredient KYORIN PHARMACEUTICAL CO., LTD. (JP) 2012-07-31 US disclosed
US-20100324057-A1 THERAPEUTIC AGENT OR PROPHYLACTIC AGENT FOR INFLAMMATORY BOWEL DISEASE COMPRISING AMINO ALCOHOL DERIVATIVE AS ACTIVE INGREDIENT KYORIN PHARMACEUTICAL CO., LTD. (JP) 2010-12-23 US disclosed
US-20100093745-A1 THERAPEUTIC AGENT OR PROPHYLACTIC AGENT FOR DEMYELINATING DISEASE COMPRISING AMINO ALCOHOL DERIVATIVE AS ACTIVE INGREDIENT KYORIN PHARMACEUTICAL CO., LTD. (JP) 2010-04-15 US disclosed
US-20100010000-A1 AMINO ALCOHOL DERIVATIVE AND IMMUNOSUPPRESIVE AGENT HAVING SAME AS AN ACTIVE INGREDIENT KYORIN PHARMACEUTICAL CO., LTD. (JP) 2010-01-14 US disclosed
US-20090325907-A1 AMINO PHOSPHATE DERIVATIVE AND S1P RECEPTOR MODULATOR HAVING SAME AS AN ACTIVE INGREDIENT KYORIN PHARMACEUTICAL CO., LTD. (JP) 2009-12-31 US disclosed
EP-2058317-A1 AMINOPHOSPHORIC ACID ESTER DERIVATIVE AND S1P RECEPTOR MODULATOR CONTAINING THE SAME AS ACTIVE INGREDIENT Kyorin Pharmaceutical Co., Ltd. (JP) 2009-05-13 EP disclosed
EP-1431284-B1 DIARYL SULFIDE DERIVATIVE, ADDITION SALT THEREOF, AND IMMUNOSUPPRESSANT KYORIN SEIYAKU KK (JP) 2007-11-21 EP disclosed
US-6960692-B2 2-amino-2-[4-(3-benzyloxyphenylthio)-2-chlorophenyl]propyl-1,3-propanediol; autoimmune diseases, rheumatoid arthritis, psoriasis, dermatitis, asthma, hay fever, anti-rejection of organ or bone marrow transplants; side effect reduction KYORIN PHARMACEUTICAL CO., LTD. (JP) 2005-11-01 US disclosed
US-20040254222-A1 Diaryl sulfide derivative, addition salt thereof, and immunosuppressant PRIOTHERA LIMITED (IE) 2004-12-16 US disclosed
EP-1431284-A1 DIARYL SULFIDE DERIVATIVE, ADDITION SALT THEREOF, AND IMMUNOSUPPRESSANT Kyorin Pharmaceutical Co., Ltd. (JP) 2004-06-23 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 (5 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-20040254222-A1 Diaryl sulfide derivative, addition salt thereof, and immunosuppressant TST, IL2, CBS SLC6A2 1224/4885SLC6A4 777/4885SLC6A3 563/4885
US-20090325907-A1 AMINO PHOSPHATE DERIVATIVE AND S1P RECEPTOR MODULATOR HAVING SAME AS AN ACTIVE INGREDIENT S1PR1, S1PR2, S1PR5 SLC6A2 1692/4885SLC6A4 939/4885SLC6A3 2760/4885
US-20100324057-A1 THERAPEUTIC AGENT OR PROPHYLACTIC AGENT FOR INFLAMMATORY BOWEL DISEASE COMPRISING AMINO ALCOHOL DERIVATIVE AS ACTIVE INGREDIENT S1PR1, S1PR2, SPHK1 SLC6A2 1445/4885SLC6A4 1601/4885SLC6A3 1969/4885
US-20100010000-A1 AMINO ALCOHOL DERIVATIVE AND IMMUNOSUPPRESIVE AGENT HAVING SAME AS AN ACTIVE INGREDIENT ALDH7A1, AADAT, IDO1 SLC6A2 2082/4885SLC6A4 2151/4885SLC6A3 3545/4885
US-20100093745-A1 THERAPEUTIC AGENT OR PROPHYLACTIC AGENT FOR DEMYELINATING DISEASE COMPRISING AMINO ALCOHOL DERIVATIVE AS ACTIVE INGREDIENT S1PR1, MAG, PMP22 SLC6A2 1021/4885SLC6A4 1537/4885SLC6A3 882/4885

“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.