SCHEMBL1027349

SCHEMBL1027349

Oc1cccc(-c2ccc(C(F)(F)F)cc2)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B1 P14061 9/20 0.68
▸ HSD17B2 P37059 9/20 0.68
▸ CYP3A4 P08684 3/20 0.68
▸ CYP2C9 P11712 2/20 0.68
▸ KIF11 P52732 3/20 0.63
▸ AGXT P21549 1/20 0.56
▸ AR P10275 1/20 0.54
▸ ESR1 P03372 3/20 0.52
▸ ESR2 Q92731 2/20 0.52
▸ CYP1A2 P05177 1/20 0.52
▸ CYP2D6 P10635 1/20 0.52
▸ CYP2B6 P20813 1/20 0.52
▸ CYP2C19 P33261 1/20 0.52
▸ MEN1 O00255 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ CYP17A1 P05093 1/20 0.50
▸ CYP19A1 P11511 1/20 0.50
▸ CYP11B1 P15538 1/20 0.50
▸ CYP11B2 P19099 1/20 0.50
▸ NPC1 O15118 1/20 0.50

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
SCHEMBL1029849 0.86 HSD17B1 (0.58) HSD17B1HSD17B2CYP3A4CYP2C9KIF11
SCHEMBL26821713 0.85 KIF11 (0.73) KIF11AGXTESR1MEN1KMT2A
SCHEMBL7898375 0.82 HSD17B1 (1.00) HSD17B1HSD17B2CYP3A4CYP2C9ESR1
SCHEMBL6068041 0.81 KIF11 (0.71) KIF11NPC1RAB9A
SCHEMBL16068255 0.81 KIF11 (0.67) KIF11AGXTDHODH
SCHEMBL322980 0.80 KIF11 (0.63) HSD17B1HSD17B2CYP3A4CYP2C9KIF11
SCHEMBL4671855 0.80 HSD17B1 (0.68) HSD17B1HSD17B2CYP3A4CYP2C9AR
SCHEMBL4291389 0.80 HSD17B1 (0.68) HSD17B1HSD17B2CYP3A4CYP2C9ESR1
SCHEMBL8050006 0.80 HSD17B1 (0.94) HSD17B1HSD17B2CYP3A4CYP2C9ESR1
SCHEMBL22693261 0.78 ESR1 (0.67) HSD17B1HSD17B2CYP3A4CYP2C9KIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2081946-A2 ADENOSINE DERIVATIVES FOR THE TREATMENT OF PAIN Biovitrum AB (publ) (SE) 2009-07-29 — — EP claimed
CN-101479289-A Adenosine derivatives for the treatment of pain BIOVITRUM AB PUBL (SE) 2009-07-08 — — CN claimed
WO-2008000745-A2 ADENOSINE DERIVATIVES FOR THE TREATMENT OF PAIN BIOVITRUM AB (PUBL) (SE) 2008-01-03 — — WO claimed
EP-3865472-B1 THROMBOXANE RECEPTOR ANTAGONISTS ATXA THERAPEUTICS LTD (IE) 2024-06-12 — — EP disclosed
EP-3865472-A1 THROMBOXANE RECEPTOR ANTAGONISTS ATXA Therapeutics Limited (IE) 2021-08-18 — — EP disclosed
EP-3865472-A1 THROMBOXANE RECEPTOR ANTAGONISTS ATXA Therapeutics Limited (IE) 2021-08-18 — — EP disclosed
US-10966994-B2 Thromboxane receptor antagonists ATXA THERAPEUTICS LIMITED (IE) 2021-04-06 — — US disclosed
US-10966994-B2 Thromboxane receptor antagonists ATXA THERAPEUTICS LIMITED (IE) 2021-04-06 — — US disclosed
EP-3310756-B1 THROMBOXANE RECEPTOR ANTAGONISTS ATXA THERAPEUTICS LTD (IE) 2020-12-09 — — EP disclosed
US-20190336513-A1 THROMBOXANE RECEPTOR ANTAGONISTS ATXA THERAPEUTICS LIMITED (IE) 2019-11-07 — — US disclosed
US-10357504-B2 Thromboxane receptor antagonists UNIVERSITY COLLEGE DUBLIN, NATIONAL UNIVERSITY OF IRELAND, DUBLIN (IE) 2019-07-23 — — US disclosed
US-20080027081-A1 Therapeutic compounds BIOVITRUM AB (PUBL) 2008-01-31 — — US disclosed
US-20080027081-A1 Therapeutic compounds BIOVITRUM AB (PUBL) 2008-01-31 — — US disclosed
US-20080027081-A1 Therapeutic compounds BIOVITRUM AB (PUBL) 2008-01-31 — — US disclosed
WO-2008000743-A2 NOVEL 2',3'-METHYLIDENE ACETYL ADENOSINE PRODRUGS FOR USE AS PRODRUGS FOR ADENOSINE RECEPTOR AGONISTS BIOVITRUM AB (PUBL) (SE) 2008-01-03 — — WO disclosed
WO-2008000745-A2 ADENOSINE DERIVATIVES FOR THE TREATMENT OF PAIN BIOVITRUM AB (PUBL) (SE) 2008-01-03 — — WO disclosed
US-20070185156-A1 8-Azabicyclo[3.2.1]octane derivatives N.V. ORGANON (NL) 2007-08-09 — — US disclosed
WO-2007063071-A1 8-AZABICYCLO[3.2.1]OCTANE DERIVATIVES USEFUL AS MONOAMINE REUPTAKE INHIBITORS N.V. ORGANON (NL) 2007-06-07 — — WO disclosed
US-7064144-B2 Imidazole derivatives as adenosine deaminase inhibitors ASTELLAS PHARMA INC. (JP) 2006-06-20 — — US disclosed
US-20040236114-A1 Imidazole derivatives as adenosine deaminase inhibitors ASTELLAS PHARMA INC. (JP) 2004-11-25 — — 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 (6 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-10966994-B2 Thromboxane receptor antagonists TBXA2R, TBXAS1, PTGIR HSD17B1 2031/4885HSD17B2 1597/4885CYP3A4 1009/4885
US-20190336513-A1 THROMBOXANE RECEPTOR ANTAGONISTS TBXA2R, PTGER2, PTGER1 HSD17B1 1247/4885HSD17B2 820/4885CYP3A4 518/4885
US-20040236114-A1 Imidazole derivatives as adenosine deaminase inhibitors ADA, ADAR, IMPDH1 HSD17B1 362/4885HSD17B2 441/4885CYP3A4 311/4885
US-20080027081-A1 Therapeutic compounds ADORA2A, ADORA3, ADORA2B HSD17B1 3185/4885HSD17B2 2948/4885CYP3A4 767/4885
US-10357504-B2 Thromboxane receptor antagonists TBXA2R, PTGER2, PTGER1 HSD17B1 1247/4885HSD17B2 820/4885CYP3A4 518/4885
US-20070185156-A1 8-Azabicyclo[3.2.1]octane derivatives SLC22A8, SLCO1B3, SLCO1B1 HSD17B1 1363/4885HSD17B2 1275/4885CYP3A4 433/4885

“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.

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