SCHEMBL1758645

SCHEMBL1758645

COC(=O)c1ccc(CP(=O)(OC)OC)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.58
MAPT P10636 2/20 0.55
CYP4A11 Q02928 2/20 0.53
CYP4F2 P78329 1/20 0.51
CA1 P00915 3/20 0.50
CA2 P00918 3/20 0.50
TDP1 Q9NUW8 1/20 0.50
CA12 O43570 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
TSHR P16473 2/20 0.47
ALDH1A1 P00352 2/20 0.46
HPGD P15428 2/20 0.46
KDM4E B2RXH2 1/20 0.46
NPC1 O15118 1/20 0.46
GAA P10253 1/20 0.46
MAPK1 P28482 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
SCHEMBL18239583 0.85 CA12 (0.54) MAPTCA1CA2TDP1CA12
SCHEMBL73418 0.85 LOXL2 (0.53) LOXL2MAPTCYP4A11CYP4F2CA1
SCHEMBL916306 0.84 LOXL2 (0.59) LOXL2MAPTCYP4A11CYP4F2CA1
SCHEMBL8667590 0.84 LOXL2 (0.38) LOXL2MAPTCYP4A11CYP4F2CA1
SCHEMBL5727629 0.84 ALDH1A1 (0.52) MAPTCA1CA2TDP1MEN1
SCHEMBL12708208 0.84 KMT2A (0.53) MAPTMEN1KMT2AALDH1A1HPGD
SCHEMBL2037665 0.82 KLK8 (0.36) MEN1KMT2AHPGDSMN1; SMN2LMNA
SCHEMBL8018058 0.82 LOXL2 (0.37) LOXL2MAPTCYP4A11CYP4F2CA1
SCHEMBL9219228 0.82 LOXL2 (0.58) LOXL2MAPTCYP4A11CYP4F2CA1
SCHEMBL915111 0.81 LOXL2 (0.49) LOXL2MAPTCYP4A11CYP4F2CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8993553-B2 Azetidine derivatives as sphingosine 1-phosphate (S1P) receptor modulators ALLERGAN, INC. (US) 2015-03-31 US disclosed
US-20130310359-A1 NOVEL AZETIDINE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS ALLERGAN, INC. (US) 2013-11-21 US disclosed
EP-2646405-A1 ALKYNE AND ALKENE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE-1 RECEPTOR MODULATORS Allergan, Inc. (US) 2013-10-09 EP disclosed
EP-2646415-A1 NOVEL AZETIDINE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS Allergan, Inc. (US) 2013-10-09 EP disclosed
CN-103339095-A Alkyne and alkene derivatives as sphingosine 1-phosphate-1 receptor modulators ALLERGAN INC 2013-10-02 CN disclosed
CN-103339107-A Novel azetidine derivatives as sphingosine 1-phosphate (S1P) receptor modulators ALLERGAN INC 2013-10-02 CN disclosed
US-8541397-B2 Alkyne and alkene derivatives as sphingosine 1-phosphate-1 receptor modulators ALLERGAN, INC. (US) 2013-09-24 US disclosed
US-8492561-B2 Azetidine derivatives as sphingosine 1-phosphate (S1P) receptor modulators ALLERGAN, INC. (US) 2013-07-23 US disclosed
US-8404663-B2 Alkyne and alkene derivatives as sphingosine 1-phosphate-1 receptor modulators ALLERGAN, INC. (US) 2013-03-26 US disclosed
CN-102802672-A Imaging of myelin basic protein GEN ELECTRIC 2012-11-28 CN disclosed
US-6455545-B2 GASTROINTESTINAL DISORDERS ASTRAZENECA CANADA INC. (CA) 2002-09-24 US disclosed
US-20020082265-A1 For treating or preventing emphysema, cancer and dermatological disorders SYNTEX (U.S.A.) LLC 2002-06-27 US disclosed
WO-2002028810-A2 RETINOIDS FOR THE TREATMENT OF EMPHYSEMA F. HOFFMANN-LA ROCHE AG (CH) 2002-04-11 WO disclosed
US-20010021715-A1 Novel compounds with analgesic effect ASTRA PHARMA INC. 2001-09-13 US disclosed
US-6187792-B1 PIPERIDIN-4-METHYLIDENE-4-BENZAMIDE DERIVATIVES; OPOID RECEPTOR ANTAGONISTS; CANCER PAIN ASTRA PHARMA INC. (CA) 2001-02-13 US disclosed
EP-0946511-A1 NOVEL COMPOUNDS WITH ANALGESIC EFFECT Astra Pharma Inc. (CA) 1999-10-06 EP disclosed
US-5877342-A SKIN DISORDERS; RESPIRATORY SYSTEM DISORDERS; CARDIOVASCULAR DISORDERS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUIES GALDERMA (FR) 1999-03-02 US disclosed
WO-1998028275-A1 NOVEL COMPOUNDS WITH ANALGESIC EFFECT ASTRA PHARMA INC. (CA) 1998-07-02 WO disclosed
US-4016195-A OPTICAL BRIGHTENERS HOECHST AKTIENGESELLSCHAFT (DT) 1977-04-05 US disclosed
US-3957846-A OPTICAL BRIGHTENERS, LACQUERS, SYNTHETIC FIBERS HOECHST AKTIENGESELLSCHAFT (DT) 1976-05-18 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 (3 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-20130310359-A1 NOVEL AZETIDINE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS S1PR1, S1PR2, S1PR5 LOXL2 2438/4885MAPT 3797/4885CYP4A11 2157/4885
US-20020082265-A1 For treating or preventing emphysema, cancer and dermatological disorders RXRA, RXRG, RXRB LOXL2 601/4885MAPT 3519/4885CYP4A11 636/4885
US-20010021715-A1 Novel compounds with analgesic effect OPRL1, OPRK1, OPRM1 LOXL2 3000/4885MAPT 3149/4885CYP4A11 677/4885

“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.