SCHEMBL4745549

SCHEMBL4745549

CC(C)(C)OC(=O)Cc1ccc(C(=O)O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
KMT2A Q03164 2/20 0.47
RXRA P19793 3/20 0.46
RXRB P28702 3/20 0.46
NR4A2 P43354 1/20 0.46
RIPK1 Q13546 1/20 0.45
RIPK3 Q9Y572 1/20 0.45
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
MAPT P10636 3/20 0.44
RXRG P48443 1/20 0.44
EPHX2 P34913 1/20 0.44
NR1H4 Q96RI1 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
TSHR P16473 1/20 0.43
POLB P06746 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 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
SCHEMBL3135380 0.87 KMT2A (0.53) ALDH1A1KMT2ARIPK1RIPK3MTNR1A
SCHEMBL21554546 0.85 CA2 (0.50) ALDH1A1RXRARXRBMTNR1AMTNR1B
SCHEMBL4961300 0.84 MTNR1A (0.47) ALDH1A1KMT2ARIPK1RIPK3MTNR1A
SCHEMBL1346095 0.83 TSHR (0.56) ALDH1A1KMT2AMTNR1AMTNR1BSMN1; SMN2
SCHEMBL4578114 0.83 ALDH1A1 (0.47) ALDH1A1KMT2ARXRARXRBNR4A2
SCHEMBL2650122 0.83 LOXL2 (0.54) KMT2ARIPK1RIPK3MTNR1AMTNR1B
SCHEMBL27700413 0.83 KMT2A (0.57) ALDH1A1KMT2ARIPK1RIPK3MTNR1A
SCHEMBL1283948 0.81 CA2 (0.50) RIPK1RIPK3MTNR1AMTNR1BLMNA
SCHEMBL19085086 0.81 MTNR1A (0.47) ALDH1A1RIPK1RIPK3MTNR1AMTNR1B
SCHEMBL7517689 0.81 HPGD (0.50) KMT2ARIPK1RIPK3MTNR1AMTNR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023239629-A1 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THAT DEGRADE CDK2 Plexium, Inc. (US) 2023-12-14 WO disclosed
WO-2023239629-A1 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THAT DEGRADE CDK2 Plexium, Inc. (US) 2023-12-14 WO disclosed
US-20230192733-A1 SUBSTITUTED PHENYL ET458HYNYL PYRIDINE CARBOXAMIDES AS POTENT INHIBITORS OF SARS VIRUS SOUTHERN RESEARCH INSTITUTE 2023-06-22 US disclosed
US-20110178074-A1 ANTIPATHOGENIC BENZAMIDE COMPOUNDS GENESOFT PHARMACEUTICALS, INC. (US) 2011-07-21 US disclosed
US-20080293711-A1 Chemokine receptor modulators METASTATIX, INC. 2008-11-27 US disclosed
WO-2008112156-A1 CHEMOKINE RECEPTOR MODULATORS ALTIRIS THERAPEUTICS (US) 2008-09-18 WO disclosed
US-5688817-A SKIN DISORDERS, ANTIINFLAMMATORY AGENTS, IMMUNOLOGY AND RHEUMATIC DISORDERS CENTRE INT'L. DE RECHERCHES DERMATOLOGIQUES GALDERMA (FR) 1997-11-18 US disclosed
US-5668156-A TREATMENT OF WARTS, ACNE, PSORIASIS, CORNEOPATHIES, KETONES CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (CIRD GALDERMA) (FR) 1997-09-16 US disclosed
US-5597839-A TREATMENT OF SKIN DISORDERS OR ANTIINFLAMMATORY AGENTS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (CIRD GALDERMA) (FR) 1997-01-28 US disclosed
US-5567721-A AROMATIC UREA COMPOUND FOR SKIN DISORDER, RHEUMATIC DISEASE, RESPIRATORY DISORDER AND EYE DISORDER CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES (FR) 1996-10-22 US disclosed
US-5439925-A Skin disorders, rheumatic diseases CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (CIRD GALDERMA) (FR) 1995-08-08 US disclosed
US-5387594-A Administering for topical and systemic treatment of CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (CIRD GALDERMA) (FR) 1995-02-07 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-20230192733-A1 SUBSTITUTED PHENYL ET458HYNYL PYRIDINE CARBOXAMIDES AS POTENT INHIBITORS OF SARS VIRUS SARS1, ACE2, ACE ALDH1A1 4373/4885KMT2A 1036/4885RXRA 4245/4885
US-20080293711-A1 Chemokine receptor modulators CCR5, CCL2, CXCR4 ALDH1A1 1359/4885KMT2A 4463/4885RXRA 508/4885
US-20110178074-A1 ANTIPATHOGENIC BENZAMIDE COMPOUNDS CASP3, BCL3, ME3 ALDH1A1 1365/4885KMT2A 2189/4885RXRA 2533/4885

“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.