SCHEMBL171208

SCHEMBL171208

Cc1cc(CO)ccc1I

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
HSD17B10 Q99714 1/20 0.39
S1PR1 P21453 6/20 0.37
SHBG P04278 1/20 0.36
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
S1PR4 O95977 1/20 0.34
RECQL P46063 1/20 0.33
TSHR P16473 1/20 0.33
MAOA P21397 1/20 0.33
DYRK1A Q13627 1/20 0.33
ENPP2 Q13822 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33

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
SCHEMBL2208303 0.82 S1PR1 (0.41) ESR1ESR2HSD17B10S1PR1SHBG
SCHEMBL31689465 0.82 S1PR1 (0.41) ESR1ESR2HSD17B10S1PR1SHBG
SCHEMBL19154351 0.81 ESR1 (0.54) ESR1ESR2S1PR1SHBGPTGS1
SCHEMBL21346932 0.81 PTGS1 (0.41) ESR1ESR2S1PR1PTGS1PTGS2
SCHEMBL8065786 0.79 TRPA1 (0.43) ESR1ESR2S1PR1PTGS1PTGS2
SCHEMBL12062549 0.78 TSHR (0.38) HSD17B10CYP4F2CYP4A11RECQLTSHR
SCHEMBL29875243 0.78 TSHR (0.38) HSD17B10CYP4F2CYP4A11RECQLTSHR
SCHEMBL93048 0.78 S1PR1 (0.47) ESR1ESR2HSD17B10S1PR1SHBG
SCHEMBL17471730 0.78 BCHE (0.42) CYP4F2CYP4A11
SCHEMBL24219430 0.77 HRH3 (0.39) ESR1ESR2ENPP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3184526-A1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES AS JANUS KINASE INHIBITOR Incyte Holdings Corporation (US) 2017-06-28 EP disclosed
EP-2348023-B9 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors INCYTE HOLDINGS CORP (US) 2017-03-08 EP disclosed
EP-2343299-B9 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors INCYTE HOLDINGS CORP (US) 2017-03-08 EP disclosed
EP-2822937-B1 PYRIDINONE AND PYRIDAZINONE DERIVATIVES AS MCH-RECEPTOR MODULATORS BOEHRINGER INGELHEIM INT (DE) 2016-12-21 EP disclosed
EP-2474545-B1 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors INCYTE HOLDINGS CORP (US) 2016-11-09 EP disclosed
EP-2426129-B1 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors INCYTE HOLDINGS CORP (US) 2016-11-02 EP disclosed
EP-2455382-B1 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors INCYTE HOLDINGS CORP (US) 2016-10-26 EP disclosed
EP-2343299-B1 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors INCYTE CORP (US) 2015-11-04 EP disclosed
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 EP disclosed
US-9079864-B2 Modulators of S1P receptors ALLERGAN, INC. (US) 2015-07-14 US disclosed
EP-2029558-B1 COMPOUNDS AND METHODS FOR MODULATING FXR LILLY CO ELI (US) 2010-03-10 EP disclosed
US-20090270460-A1 FXR AGONISTS JPMORGAN CHASE BANK, N.A., AS SUCCESSOR COLLATERAL AGENT 2009-10-29 US disclosed
US-20090209524-A1 Novel Compounds ASTRAZENECA AB (SE) 2009-08-20 US disclosed
CN-101448791-A FXR agonists LILLY CO ELI (US) 2009-06-03 CN disclosed
CN-101448798-A Compounds and methods for modulating FXR LILLY CO ELI (US) 2009-06-03 CN disclosed
US-20090093524-A1 COMPOUNDS AND METHODS FOR MODULATING FXR JPMORGAN CHASE BANK, N.A., AS SUCCESSOR COLLATERAL AGENT 2009-04-09 US disclosed
EP-2029547-A1 FXR AGONISTS ELI LILLY AND COMPANY (US) 2009-03-04 EP disclosed
EP-2029558-A2 COMPOUNDS AND METHODS FOR MODULATING FXR ELI LILLY AND COMPANY (US) 2009-03-04 EP disclosed
WO-2007140183-A1 FXR AGONISTS ELI LILLY AND COMPANY (US) 2007-12-06 WO disclosed
WO-2007140174-A2 COMPOUNDS AND METHODS FOR MODULATING FXR ELI LILLY AND COMPANY (US) 2007-12-06 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 (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-20090270460-A1 FXR AGONISTS NR1H4, SLC10A1, GPBAR1 ESR1 836/4885ESR2 216/4885HSD17B10 132/4885
US-20090209524-A1 Novel Compounds ABCG2, CYP4B1, CYP3A4 ESR1 803/4885ESR2 974/4885HSD17B10 741/4885
US-20090093524-A1 COMPOUNDS AND METHODS FOR MODULATING FXR NR1H4, SLC10A1, FXR1 ESR1 2766/4885ESR2 467/4885HSD17B10 104/4885

“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.