SCHEMBL3308532

SCHEMBL3308532

Clc1cccc(Sc2ccc(CCCI)c(Cl)c2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
KDM4E B2RXH2 2/20 0.35
HPGD P15428 2/20 0.35
ALDH1A1 P00352 1/20 0.35
S1PR1 P21453 2/20 0.35
RHEB Q15382 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
MAPK1 P28482 1/20 0.34
CYP2C19 P33261 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.32
DHFR P00374 1/20 0.32
PKM P14618 1/20 0.32
TP53 P04637 1/20 0.32

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
SCHEMBL3304061 0.85 POLB (0.43) POLBSLC6A2SLC6A4SLC6A3MEN1
SCHEMBL3301570 0.83 HTR2C (0.36) POLBHPGDS1PR1
SCHEMBL4334414 0.82 S1PR1 (0.32) SLC6A2S1PR1
SCHEMBL3300631 0.82 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL13179952 0.79 S1PR1 (0.40) KMT2AS1PR1CYP1A2CYP2C9CYP2C19
SCHEMBL13547843 0.78 S1PR1 (0.41) POLBSLC6A2SLC6A4SLC6A3MEN1
SCHEMBL1563640 0.78 S1PR1 (0.56) S1PR1
SCHEMBL12677726 0.77 S1PR1 (0.45) POLBSLC6A2SLC6A4SLC6A3MEN1
Hydrochloric Acid SCHEMBL3304170 0.76 S1PR1 (0.44) POLBSLC6A2SLC6A4SLC6A3MEN1
Hydrochloric Acid SCHEMBL3304172 0.76 S1PR1 (0.44) POLBSLC6A2SLC6A4SLC6A3MEN1

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2053038-B1 AMINO ALCOHOL DERIVATIVE AND IMMUNOSUPPRESSIVE AGENT HAVING SAME AS AN ACTIVE INGREDIENT KYORIN SEIYAKU KK (JP) 2016-10-05 EP disclosed
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-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-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-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-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-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-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-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-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
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
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-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-2053038-A1 AMINOALCOHOL DERIVATIVE AND IMMUNOSUPPRESSANT CONTAINING THE SAME AS AN ACTIVE INGREDIENT Kyorin Pharmaceutical Co., Ltd. (JP) 2009-04-29 EP disclosed
EP-2053038-A1 AMINOALCOHOL DERIVATIVE AND IMMUNOSUPPRESSANT CONTAINING THE SAME AS AN ACTIVE INGREDIENT Kyorin Pharmaceutical Co., Ltd. (JP) 2009-04-29 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-20090325907-A1 AMINO PHOSPHATE DERIVATIVE AND S1P RECEPTOR MODULATOR HAVING SAME AS AN ACTIVE INGREDIENT S1PR1, S1PR2, S1PR5 POLB 4469/4885SLC6A2 1692/4885SLC6A4 939/4885
US-20100010000-A1 AMINO ALCOHOL DERIVATIVE AND IMMUNOSUPPRESIVE AGENT HAVING SAME AS AN ACTIVE INGREDIENT ALDH7A1, AADAT, IDO1 POLB 3979/4885SLC6A2 2082/4885SLC6A4 2151/4885

“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.