SCHEMBL13028693

SCHEMBL13028693

CC(C)(C)C(=O)COCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.50
ALDH1A1 P00352 5/20 0.48
NPC1 O15118 2/20 0.47
MAPT P10636 2/20 0.47
GRM5 P41594 1/20 0.45
MAPK1 P28482 2/20 0.45
CES1 P23141 1/20 0.44
HTT P42858 1/20 0.44
CSNK1D P48730 1/20 0.43
KDM4E B2RXH2 2/20 0.43
RAB9A P51151 1/20 0.43
HSD11B1 P28845 1/20 0.43
POLB P06746 1/20 0.43
KMT2A Q03164 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A3 Q01959 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 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
SCHEMBL22326223 0.90 NAAA (0.46) TSHRALDH1A1NPC1MAPTMAPK1
SCHEMBL5449272 0.89 MAPK1 (0.46) TSHRALDH1A1NPC1MAPTGRM5
SCHEMBL28649602 0.84 TSHR (0.45) TSHRALDH1A1NPC1MAPTGRM5
SCHEMBL28649604 0.84 TSHR (0.45) TSHRALDH1A1NPC1MAPTGRM5
SCHEMBL18997591 0.84 RAB9A (0.47) ALDH1A1NPC1MAPTMAPK1RAB9A
SCHEMBL31723025 0.83 CES1 (0.60) TSHRALDH1A1GRM5CES1
SCHEMBL21776360 0.83 SPR (0.44) MAPK1SMN1; SMN2
SCHEMBL19002293 0.82 GRM5 (0.43) MAPTGRM5MAPK1KDM4ERAB9A
SCHEMBL11171596 0.82 KMT2A (0.46) ALDH1A1MAPTGRM5MAPK1RAB9A
SCHEMBL12622696 0.82 TSHR (0.47) TSHRALDH1A1CES1HTTHSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025062334-A1 4-((5-(3-(4-(PYRIDIN-2-YL)CYCLOPENTYL)-1 H-PYRAZOL-3-YL)AMINO)-BENZENESULFONAMIDE DERIVATIVES AND SIMILAR COMPOUNDS AS CDK INHIBITORS FOR THE TREATMENT OF CANCER BEIGENE SWITZERLAND GMBH (CH) 2025-03-27 WO disclosed
US-20230286997-A1 Compounds for the Treatment of Cancer and Inflammatory Disease SHY Therapeutics LLC 2023-09-14 US disclosed
US-20230149369-A1 Compounds that Interact with the Ras Superfamily for the Treatment of Cancers, Inflammatory Diseases, Rasopathies, and Fibrotic Disease SHY Therapeutics LLC (US) 2023-05-18 US disclosed
US-11149043-B2 Prodrug modulators of the integrated stress pathway CALICO LIFE SCIENCES LLC (US) 2021-10-19 US disclosed
US-20210230195-A1 PRODRUG MODULATORS OF THE INTEGRATED STRESS PATHWAY CALICO LIFE SCIENCES LLC 2021-07-29 US disclosed
US-20210032222-A1 FIVE-MEMBERED RING-SUBSTITUTED PYRIDAZINOL COMPOUNDS AND DERIVATIVES, PREPARATION METHODS, HERBICIDAL COMPOSITIONS AND APPLICATIONS THEREOF QINGDAO KINGAGROOT CHEMICAL COMPOUND CO., LTD. (CN) 2021-02-04 US disclosed
US-20210032229-A1 PYRIDINE RING-SUBSTITUTED PYRIDAZINOL COMPOUNDS AND DERIVATIVES, PREPARATION METHODS, HERBICIDAL COMPOSITIONS AND APPLICATIONS THEREOF QINGDAO KINGAGROOT CHEMICAL COMPOUND CO., LTD. (CN) 2021-02-04 US disclosed
US-10870657-B2 Compounds for the treatment of cancer and inflammatory disease SHY Therapeutics LLC (US) 2020-12-22 US disclosed
US-20190218229-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMTORY DISEASE SHY Therapeutics LLC 2019-07-18 US disclosed
US-20170174699-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE SHY Therapeutics LLC 2017-06-22 US disclosed
US-9174988-B2 Small molecule inhibitors of hepatitis C virus TRUSTEES OF BOSTON UNIVERSITY (US) 2015-11-03 US disclosed
US-20130065875-A1 SMALL MOLECULE INHIBITORS OF HEPATITIS C VIRUS THE SCRIPPS RESEARCH INSTITUTE (US) 2013-03-14 US disclosed
US-20100286092-A1 BETA-LACTAMASE INHIBITORS NOVARTIS INTERNATIONAL PHARMACEUTICAL, LTD. (BM) 2010-11-11 US disclosed
US-20100120715-A1 BETA-LACTAMASE INHIBITORS PROTEZ PHARMACEUTICALS, INC. 2010-05-13 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 (12 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-11149043-B2 Prodrug modulators of the integrated stress pathway ATF4, ATF1, DDIT3 TSHR 2909/4885ALDH1A1 1941/4885NPC1 907/4885
US-20210230195-A1 PRODRUG MODULATORS OF THE INTEGRATED STRESS PATHWAY ATF4, ATF1, DDIT3 TSHR 2909/4885ALDH1A1 1941/4885NPC1 907/4885
US-20100120715-A1 BETA-LACTAMASE INHIBITORS GANAB, BPGM, BLVRB TSHR 4302/4885ALDH1A1 430/4885NPC1 2957/4885
US-20190218229-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMTORY DISEASE MAPK1, MAPK6, MAP3K1 TSHR 4428/4885ALDH1A1 2861/4885NPC1 2556/4885
US-20210032229-A1 PYRIDINE RING-SUBSTITUTED PYRIDAZINOL COMPOUNDS AND DERIVATIVES, PREPARATION METHODS, HERBICIDAL COMPOSITIONS AND APPLICATIONS THEREOF CBR3, CBR1, H1-0 TSHR 421/4885ALDH1A1 1438/4885NPC1 4527/4885
US-20130065875-A1 SMALL MOLECULE INHIBITORS OF HEPATITIS C VIRUS HAVCR2, FABP1, LIPC TSHR 3060/4885ALDH1A1 1603/4885NPC1 179/4885
US-10870657-B2 Compounds for the treatment of cancer and inflammatory disease MAPK6, MAP3K6, MAPK4 TSHR 4461/4885ALDH1A1 2765/4885NPC1 2024/4885
US-20230286997-A1 Compounds for the Treatment of Cancer and Inflammatory Disease MAPK6, MAP3K6, MAPK4 TSHR 4461/4885ALDH1A1 2765/4885NPC1 2024/4885
US-20230149369-A1 Compounds that Interact with the Ras Superfamily for the Treatment of Cancers, Inflammatory Diseases, Rasopathies, and Fibrotic Disease HRAS, KRAS, NRAS TSHR 4307/4885ALDH1A1 3448/4885NPC1 2606/4885
US-20170174699-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE MAPK6, MAP3K6, MAPK4 TSHR 4461/4885ALDH1A1 2765/4885NPC1 2024/4885
US-20100286092-A1 BETA-LACTAMASE INHIBITORS GANAB, BPGM, BLVRB TSHR 4302/4885ALDH1A1 430/4885NPC1 2957/4885
US-20210032222-A1 FIVE-MEMBERED RING-SUBSTITUTED PYRIDAZINOL COMPOUNDS AND DERIVATIVES, PREPARATION METHODS, HERBICIDAL COMPOSITIONS AND APPLICATIONS THEREOF CBR3, CBR1, CYP8B1 TSHR 146/4885ALDH1A1 983/4885NPC1 4435/4885

“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.