Sugi Predict

Sugi Predict / Compounds / Mandelic Acid

Mandelic Acid

Mandelic Acid

SCHEMBL522946

CC1CCCC1.O=C(O)C(O)c1ccccc1

nearest known ligand 0.64

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 8/20 0.64
▸ MAPK1 P28482 1/20 0.64
▸ KDM4E B2RXH2 2/20 0.48
▸ HPGD P15428 1/20 0.44
▸ CES2 O00748 1/20 0.44
▸ CES1 P23141 1/20 0.44
▸ NR1I2 O75469 1/20 0.43
▸ ABCB11 O95342 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ CHRM2 P08172 2/20 0.42
▸ CHRM1 P11229 2/20 0.42
▸ CHRM4 P08173 1/20 0.42
▸ CHRM5 P08912 1/20 0.42
▸ CHRM3 P20309 1/20 0.42
▸ BLM P54132 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ EPHX1 P07099 2/20 0.42

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
Mandelic Acid SCHEMBL7703006 0.83 LMNA (0.51) LMNAMAPK1KDM4ENR1I2ABCB11
Mandelic Acid SCHEMBL738480 0.83 LMNA (0.51) LMNAMAPK1KDM4ENR1I2ABCB11
Mandelic Acid SCHEMBL7700968 0.83 LMNA (0.51) LMNAMAPK1KDM4ENR1I2ABCB11
Mandelic Acid SCHEMBL738154 0.83 LMNA (0.51) LMNAMAPK1KDM4ENR1I2ABCB11
Mandelic Acid SCHEMBL738482 0.83 LMNA (0.51) LMNAMAPK1KDM4ENR1I2ABCB11
Mandelic Acid SCHEMBL3622024 0.82 LMNA (0.86) LMNAMAPK1KDM4EHPGDCES2
Mandelic Acid SCHEMBL29214389 0.82 LMNA (0.86) LMNAMAPK1KDM4EHPGDCES2
Mandelic Acid SCHEMBL16278854 0.82 LMNA (0.55) LMNAMAPK1TDP1SLC6A2SLC6A4
Mandelic Acid SCHEMBL7279536 0.80 LMNA (0.90) LMNAMAPK1KDM4EHPGDCES2
Mandelic Acid SCHEMBL21647917 0.80 LMNA (1.00) LMNAMAPK1KDM4EHPGDCES2

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
CN-104744480-B 7-azoniabicyclo [2.2.1] heptane derivatives, process for their preparation, and their pharmaceutical use 西伦制药公司 2021-02-12 — — CN disclosed
EP-2528921-B1 7-AZONIABICYCLO [2.2.1]HEPTANE DERIVATIVES, METHODS OF PRODUCTION, AND PHARMACEUTICAL USES THEREOF THERON PHARMACEUTICALS INC (US) 2017-10-18 — — EP disclosed
US-20160296497-A1 7-AZONIABICYCLO[2.2.1]HEPTANE DERIVATIVES, METHODS OF PRODUCTION, AND PHARMACEUTICAL USES THEREOF THERON PHARMACEUTICALS, INC. 2016-10-13 — — US disclosed
US-9320731-B2 7-azoniabicyclo[2.2.1]heptane derivatives, methods of production, and pharmaceutical uses thereof THERON PHARMACEUTICALS, INC. (US) 2016-04-26 — — US disclosed
US-20140249195-A1 7-AZONIABICYCLO[2.2.1]HEPTANE DERIVATIVES, METHODS OF PRODUCTION, AND PHARMACEUTICAL USES THEREOF THERON PHARMACEUTICALS, INC (US) 2014-09-04 — — US disclosed
US-8742134-B2 7-azoniabicyclo[2.2.1]heptane derivatives, methods of production, and pharmaceutical uses thereof THERON PHARMACEUTICALS, INC. (US) 2014-06-03 — — US disclosed
US-8742131-B2 7-azoniabicyclo [2.2.1] heptane derivatives, methods of production, and pharmaceutical uses thereof THERON PHARMACEUTICALS, INC. (US) 2014-06-03 — — US disclosed
US-20130157989-A1 7-AZONIABICYCLO[2.2.1]HEPTANE DERIVATIVES, METHODS OF PRODUCTION, AND PHARMACEUTICAL USES THEREOF THERON PHARMACEUTICALS, INC. (US) 2013-06-20 — — US disclosed
US-8426611-B2 7-azoniabicyclo[2.2.1]heptane derivatives, methods of production, and pharmaceutical uses thereof THERON PHARMACEUTICALS INC. (US) 2013-04-23 — — US disclosed
US-20130059898-A1 7-AZONIABICYCLO [2.2.1] HEPTANE DERIVATIVES, METHODS OF PRODUCTION, AND PHARMACEUTICAL USES THEREOF THERON PHARMACEUTICALS, INC. (US) 2013-03-07 — — US disclosed
EP-2528921-A2 7-AZONIABICYCLO [2.2.1]HEPTANE DERIVATIVES, METHODS OF PRODUCTION, AND PHARMACEUTICAL USES THEREOF Theron Pharmaceuticals, Inc. (US) 2012-12-05 — — EP disclosed
US-20120029044-A1 7-AZONIABICYCLO[2.2.1]HEPTANE DERIVATIVES, METHODS OF PRODUCTION, AND PHARMACEUTICAL USES THEREOF THERON PHARMACEUTICALS INC. 2012-02-02 — — US disclosed
WO-2011094434-A2 7-AZONIABICYCLO [2.2.1] HEPTANE DERIVATIVES, METHODS OF PRODUCTION, AND PHARMACEUTICAL USES THEREOF THERON PHARMACEUTICALS, INC. (US) 2011-08-04 — — WO 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-20140249195-A1 7-AZONIABICYCLO[2.2.1]HEPTANE DERIVATIVES, METHODS OF PRODUCTION, AND PHARMACEUTICAL USES THEREOF CHRM3, CHRM2, CHRM1 LMNA 3732/4885MAPK1 2623/4885KDM4E 4133/4885
US-20130059898-A1 7-AZONIABICYCLO [2.2.1] HEPTANE DERIVATIVES, METHODS OF PRODUCTION, AND PHARMACEUTICAL USES THEREOF CHRM3, CHRM2, CHRM1 LMNA 4044/4885MAPK1 2387/4885KDM4E 3796/4885
US-20160296497-A1 7-AZONIABICYCLO[2.2.1]HEPTANE DERIVATIVES, METHODS OF PRODUCTION, AND PHARMACEUTICAL USES THEREOF CHRM3, CHRM2, CHRM1 LMNA 3732/4885MAPK1 2623/4885KDM4E 4133/4885
US-20130157989-A1 7-AZONIABICYCLO[2.2.1]HEPTANE DERIVATIVES, METHODS OF PRODUCTION, AND PHARMACEUTICAL USES THEREOF CHRM3, CHRM2, CHRM1 LMNA 3992/4885MAPK1 2247/4885KDM4E 3993/4885
US-20120029044-A1 7-AZONIABICYCLO[2.2.1]HEPTANE DERIVATIVES, METHODS OF PRODUCTION, AND PHARMACEUTICAL USES THEREOF CHRM3, CHRM2, CHRM1 LMNA 3992/4885MAPK1 2247/4885KDM4E 3993/4885

“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.