SCHEMBL894643

SCHEMBL894643

CC(C)(C)c1cc(C(=O)O)[nH]n1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALPL P05186 10/20 0.50
CA9 Q16790 4/20 0.46
TP53 P04637 1/20 0.46
HCAR3 P49019 3/20 0.45
CA12 O43570 4/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
RPA1 P27694 1/20 0.42
KDM4E B2RXH2 1/20 0.42
GRN P28799 1/20 0.42
SORT1 Q99523 1/20 0.42
ALOX15 P16050 1/20 0.41
PIN1 Q13526 1/20 0.41
HCAR2 Q8TDS4 1/20 0.40

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
Hydrochloric Acid SCHEMBL6444454 0.98 ALPL (0.49) ALPLCA9TP53HCAR3CA12
SCHEMBL6109157 0.85 ALPL (0.44) ALPLCA9TP53HCAR3CA12
SCHEMBL6211786 0.84 HPGD (0.40) ALPLCA9TP53HCAR3HPGD
SCHEMBL2658376 0.82 PLA2G10 (0.44) ALPLCA9HPGDTSHRKDM4E
SCHEMBL1498674 0.80 ALPL (0.46) ALPLCA9TP53HCAR3CA12
SCHEMBL1455921 0.79 MAPK1 (0.61) ALPL
Hydrochloric Acid SCHEMBL31067451 0.78 ALPL (0.45) ALPLCA9TP53HCAR3CA12
SCHEMBL1815054 0.78 ALPL (0.49) ALPLTP53HPGDTSHRKDM4E
SCHEMBL352985 0.78 HPGD (0.39) ALPLHCAR3HPGDTSHRKDM4E
SCHEMBL6111053 0.76 ALPL (0.42) ALPLCA9TP53HCAR3CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2112150-B1 Improved raf inhibitors FORMA THERAPEUTICS INC (US) 2013-10-16 EP claimed
US-8232283-B2 Raf inhibitors FORMA THERAPEUTICS, INC. (US) 2012-07-31 US claimed
WO-2009130015-A1 IMPROVED RAF INHIBITORS GPC BIOTECH AG (DE) 2009-10-29 WO claimed
EP-2112150-A1 Improved raf inhibitors GPC Biotech AG (DE) 2009-10-28 EP claimed
EP-3885340-B1 ANDROGEN RECEPTOR MODULATING COMPOUNDS ORION CORP (FI) 2024-11-27 EP disclosed
CN-118307564-A Nitrogen-containing heterocyclic compound, and preparation method and application thereof 深圳信立泰药业股份有限公司 2024-07-09 CN disclosed
CN-116621846-B Bicyclic heterocycle and tricyclic heterocycle compounds, and preparation method and medical application thereof 华润医药研究院(深圳)有限公司 2023-10-17 CN disclosed
CN-116621846-A Bicyclic heterocycle and tricyclic heterocycle compounds, and preparation method and medical application thereof 华润医药研究院(深圳)有限公司 2023-08-22 CN disclosed
US-20220289751-A1 COMPOUND HAVING KDM5 INHIBITORY ACTIVITY AND PHARMACEUTICAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2022-09-15 US disclosed
EP-3999183-A1 COMPOUND HAVING KDM5 INHIBITORY ACTIVITY AND PHARMACEUTICAL USE THEREOF Ono Pharmaceutical Co., Ltd. (JP) 2022-05-25 EP disclosed
EP-3885340-A1 ANDROGEN RECEPTOR MODULATING COMPOUNDS ORION CORPORATION (FI) 2021-09-29 EP disclosed
US-11046713-B2 Androgen receptor modulating compounds ORION CORPORATION (FI) 2021-06-29 US disclosed
US-20100267722-A1 NOVEL PROLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-10-21 US disclosed
EP-2229391-A1 PYRIDO[2,3-B]PYRAZINE-8-SUBSTITUTED COMPOUNDS AND THEIR USE Cancer Research Technology Limited (GB) 2010-09-22 EP disclosed
US-20100204159-A1 ORGANIC COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2010-08-12 US disclosed
WO-2009130015-A1 IMPROVED RAF INHIBITORS GPC BIOTECH AG (DE) 2009-10-29 WO disclosed
EP-2112150-A1 Improved raf inhibitors GPC Biotech AG (DE) 2009-10-28 EP disclosed
WO-2009077766-A1 PYRIDO[2,3-B]PYRAZINE-8-SUBSTITUTED COMPOUNDS AND THEIR USE CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2009-06-25 WO disclosed
US-20070286842-A1 Organic Compounds and Their Uses NOVARTIS AG (CH) 2007-12-13 US disclosed
CN-1878769-A Cytokine inhibitors KEMIA INC (US) 2006-12-13 CN 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-20070286842-A1 Organic Compounds and Their Uses OAT, OTC, AOX1 ALPL 747/4885CA9 605/4885TP53 784/4885
US-20220289751-A1 COMPOUND HAVING KDM5 INHIBITORY ACTIVITY AND PHARMACEUTICAL USE THEREOF KDM5A, KDM1B, KDM5D ALPL 3465/4885CA9 2732/4885TP53 281/4885
US-20100267722-A1 NOVEL PROLINE DERIVATIVES PRAP1, PRR12, SLC6A7 ALPL 4093/4885CA9 4073/4885TP53 3172/4885
US-11046713-B2 Androgen receptor modulating compounds AR, NR5A1, SHBG ALPL 3230/4885CA9 2297/4885TP53 1529/4885
US-20100204159-A1 ORGANIC COMPOUNDS AND THEIR USES OAT, OTC, AOX1 ALPL 747/4885CA9 605/4885TP53 784/4885

“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.