SCHEMBL3985705

SCHEMBL3985705

CCOC(=O)C1C2CCCC21

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPM1B O75688 1/20 0.50
PTPN1 P18031 1/20 0.50
PPP1CC P36873 1/20 0.50
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
ALDH1A1 P00352 6/20 0.42
HSD11B1 P28845 1/20 0.41
MAPT P10636 2/20 0.41
TLR4 O00206 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL26077288 1.00 PPM1B (0.50) PPM1BPTPN1PPP1CCNPC1RAB9A
SCHEMBL5791356 0.96 PPM1B (0.50) PPM1BPTPN1PPP1CCNPC1RAB9A
SCHEMBL9843585 0.96 PPM1B (0.50) PPM1BPTPN1PPP1CCNPC1RAB9A
SCHEMBL25467328 0.96 PPM1B (0.50) PPM1BPTPN1PPP1CCNPC1RAB9A
SCHEMBL9537641 0.96 PPM1B (0.50) PPM1BPTPN1PPP1CCNPC1RAB9A
SCHEMBL3983080 0.94 ALDH1A1 (0.49) PPM1BPTPN1PPP1CCNPC1RAB9A
SCHEMBL3983188 0.94 ALDH1A1 (0.49) PPM1BPTPN1PPP1CCNPC1RAB9A
SCHEMBL15712143 0.91 PPM1B (0.53) PPM1BPTPN1PPP1CCNPC1RAB9A
SCHEMBL14357850 0.86 PPM1B (0.46) PPM1BPTPN1PPP1CCNPC1RAB9A
SCHEMBL24879430 0.85 PPM1B (0.40) PPM1BPTPN1PPP1CCNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117136052-A CDK inhibitors and methods of use thereof 传达治疗有限公司 2023-11-28 CN disclosed
CN-114599648-A Triazole carboxylic acids as LPA antagonists 百时美施贵宝公司 2022-06-07 CN disclosed
CN-114599640-A Isoxazole carboxylic acids as LPA antagonists 百时美施贵宝公司 2022-06-07 CN disclosed
US-10005731-B2 Modulators of the retinoid-related orphan receptor gamma (ROR-gamma) for use in the treatment of autoimmune and inflammatory diseases GLAXO GROUP LIMITED (GB) 2018-06-26 US disclosed
US-10005731-B2 Modulators of the retinoid-related orphan receptor gamma (ROR-gamma) for use in the treatment of autoimmune and inflammatory diseases GLAXO GROUP LIMITED (GB) 2018-06-26 US disclosed
EP-3219711-A1 MODULATORS OF THE RETINOID-RELATED ORPHAN RECEPTOR GAMMA (ROR-GAMMA) FOR USE IN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISEASES Glaxo Group Limited (GB) 2017-09-20 EP disclosed
EP-3219711-A1 MODULATORS OF THE RETINOID-RELATED ORPHAN RECEPTOR GAMMA (ROR-GAMMA) FOR USE IN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISEASES Glaxo Group Limited (GB) 2017-09-20 EP disclosed
EP-2928885-B1 MODULATORS OF THE RETINOID-RELATED ORPHAN RECEPTOR GAMMA (ROR-GAMMA) FOR USE IN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISEASES GLAXO GROUP LTD (GB) 2017-03-22 EP disclosed
EP-2928885-B1 MODULATORS OF THE RETINOID-RELATED ORPHAN RECEPTOR GAMMA (ROR-GAMMA) FOR USE IN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISEASES GLAXO GROUP LTD (GB) 2017-03-22 EP disclosed
US-20150299121-A1 MODULATORS OF THE RETINOID-RELATED ORPHAN RECEPTOR GAMMA (ROR-GAMMA) FOR USE IN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISEASES GLAXO GROUP LIMITED (GB) 2015-10-22 US disclosed
US-20150299121-A1 MODULATORS OF THE RETINOID-RELATED ORPHAN RECEPTOR GAMMA (ROR-GAMMA) FOR USE IN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISEASES GLAXO GROUP LIMITED (GB) 2015-10-22 US disclosed
US-20150299121-A1 MODULATORS OF THE RETINOID-RELATED ORPHAN RECEPTOR GAMMA (ROR-GAMMA) FOR USE IN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISEASES GLAXO GROUP LIMITED (GB) 2015-10-22 US disclosed
EP-2928885-A1 MODULATORS OF THE RETINOID-RELATED ORPHAN RECEPTOR GAMMA (ROR-GAMMA) FOR USE IN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISEASES Glaxo Group Limited (GB) 2015-10-14 EP disclosed
WO-2014086894-A1 MODULATORS OF THE RETINOID-RELATED ORPHAN RECEPTOR GAMMA (ROR-GAMMA) FOR USE IN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISEASES GLAXO GROUP LIMITED (GB) 2014-06-12 WO disclosed
WO-2014086894-A1 MODULATORS OF THE RETINOID-RELATED ORPHAN RECEPTOR GAMMA (ROR-GAMMA) FOR USE IN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISEASES GLAXO GROUP LIMITED (GB) 2014-06-12 WO disclosed
EP-1562575-B1 FUSED CYCLOALKYL AMIDES AND ACIDS AND THEIR THERAPEUTIC APPLICATIONS FOR THE TREATMENT OF I.A. EPILEPSY ABBOTT LAB (US) 2009-05-20 EP disclosed
EP-1562575-A1 FUSED CYCLOALKYL AMIDES AND ACIDS AND THEIR THERAPEUTIC APPLICATIONS FOR THE TREATMENT OF I.A. EPILEPSY Abbott Laboratories (US) 2005-08-17 EP disclosed
US-20040209859-A1 Fused cycloalkyl amides and acids and their therapeutic applications ABBOTT LABORATORIES 2004-10-21 US disclosed
WO-2004037241-A1 FUSED CYCLOALKYL AMIDES AND ACIDS AND THEIR THERAPEUTIC APPLICATIONS FOR THE TREATMENT OF I.A. EPILEPSY ABBOTT LABORATORIES (US) 2004-05-06 WO disclosed
US-20040077617-A1 Fused cycloalkyl amides and acids and their therapeutic applications ABBOTT LABORATORIES 2004-04-22 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 (4 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-20040209859-A1 Fused cycloalkyl amides and acids and their therapeutic applications GRIN2A, GRIK1, GRIN2B PPM1B 2811/4885PTPN1 4751/4885PPP1CC 3561/4885
US-20150299121-A1 MODULATORS OF THE RETINOID-RELATED ORPHAN RECEPTOR GAMMA (ROR-GAMMA) FOR USE IN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISEASES RORB, RORC, RORA PPM1B 1937/4885PTPN1 716/4885PPP1CC 3523/4885
US-20040077617-A1 Fused cycloalkyl amides and acids and their therapeutic applications GRIN2A, GRIK1, GRIN2B PPM1B 2811/4885PTPN1 4751/4885PPP1CC 3561/4885
US-10005731-B2 Modulators of the retinoid-related orphan receptor gamma (ROR-gamma) for use in the treatment of autoimmune and inflammatory diseases RORB, RORC, RORA PPM1B 1937/4885PTPN1 716/4885PPP1CC 3523/4885

“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.