SCHEMBL2010127

SCHEMBL2010127

CCCCS(=O)(=O)NCC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.44
CA2 P00918 4/20 0.44
CA12 O43570 1/20 0.44
CA7 P43166 1/20 0.44
CA14 Q9ULX7 1/20 0.44
RELA Q04206 4/20 0.43
HPGD P15428 3/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
LMNA P02545 2/20 0.41
NPC1 O15118 1/20 0.41
S1PR2 O95136 1/20 0.41
S1PR4 O95977 1/20 0.41
TP53 P04637 1/20 0.41
POLB P06746 1/20 0.41
XBP1 P17861 1/20 0.41
S1PR1 P21453 1/20 0.41
MAPK1 P28482 1/20 0.41
AGTR1 P30556 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL7432483 0.92 RELA (0.50) CA1CA2CA12CA7CA14
Hydrochloric Acid SCHEMBL28232067 0.90 RELA (0.49) CA1CA2CA12CA7CA14
SCHEMBL19776014 0.90 RELA (0.53) CA1CA2RELAPPARAFAAH
SCHEMBL11883426 0.90 RELA (0.53) CA1CA2RELAPPARAFAAH
SCHEMBL7691856 0.90 RELA (0.53) CA1CA2RELAPPARAFAAH
SCHEMBL2008850 0.83
SCHEMBL608990 0.82 CA1 (0.61) CA1CA2CA12CA7CA14
SCHEMBL5689488 0.82 CA1 (0.52) CA1CA2CA12CA7CA14
Hydrochloric Acid SCHEMBL4007389 0.81 CA1 (0.38) CA1CA2CA12CA7CA14
SCHEMBL21236089 0.80 RELA (0.49) CA1CA2CA12CA7CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103911615-A Etching agent composition used for copper-contained metal DONGWOO FINE CHEM CO LTD 2014-07-09 CN claimed
CN-119968127-A Animal food compositions with improved palatability and customizable properties and methods of making the same 玛氏公司 2025-05-09 CN disclosed
EP-2694505-B1 HSP90 INHIBITORS SLOAN KETTERING INST CANCER RES (US) 2022-04-27 EP disclosed
EP-3444238-B1 PROCESS FOR PREPARING DIFLUOROMETHYLENE COMPOUNDS SATO PHARMA (JP) 2021-12-08 EP disclosed
WO-2021055849-A1 HEADGROUP LIPID COMPOUNDS AND COMPOSITIONS FOR INTRACELLULAR DELIVERY OF THERAPEUTIC AGENTS MODERNATX, INC. (US) 2021-03-25 WO disclosed
EP-3444238-A2 PROCESS FOR PREPARING DIFLUOROMETHYLENE COMPOUNDS Sato Pharmaceutical Co., Ltd. (JP) 2019-02-20 EP disclosed
EP-3077372-B1 ROR GAMMA (RORY) MODULATORS LEAD PHARMA HOLDING BV (NL) 2019-02-06 EP disclosed
EP-2878594-B1 DIFLUOROMETHYLENE COMPOUND SATO PHARMA (JP) 2018-11-28 EP disclosed
US-9650380-B2 Difluoromethylene compound SATO PHARMACEUTICAL CO., LTD. (JP) 2017-05-16 US disclosed
US-20170044158-A1 DIFLUOROMETHYLENE COMPOUND SATO PHARMACEUTICAL CO., LTD. (JP) 2017-02-16 US disclosed
WO-1997009324-A1 2-CYCLOHEXANE-1,3-DIONE BENZOYL DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 1997-03-13 WO disclosed
US-5602127-A ADMINISTERING TO TREAT HYPERTENSION KARL THOMAE GMBH (DE) 1997-02-11 US disclosed
US-5594003-A HYPOTENSIVE AGENTS DR. KARL THOMAE GMBH (DE) 1997-01-14 US disclosed
US-5591762-A HYPOTENSIVE AGENTS DR. KARL THOMAE GMBH (DE) 1997-01-07 US disclosed
US-5587393-A ANGIOTENSIN ANTAGONIST USEFUL IN TREATING HYPERTENSION DR. KARL THOMAE GMBH (DE) 1996-12-24 US disclosed
WO-1996037471-A1 N-AMINOPYRIDONE DERIVATIVES AND THEIR USE AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1996-11-28 WO disclosed
WO-1996026192-A1 ISOXAZOLYL-BENZOYL DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 1996-08-29 WO disclosed
WO-1996026193-A1 PHENYL DIKETONE DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 1996-08-29 WO disclosed
WO-1996026200-A1 HERBICIDAL BENZOYL DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 1996-08-29 WO disclosed
US-5385925-A Benzimidazoles, pharmaceutical compositions containing these compounds and processes for preparing them DR. KARL THOMAE GMBH (DE) 1995-01-31 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 (1 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-20170044158-A1 DIFLUOROMETHYLENE COMPOUND XDH, URB2, MNAT1 CA1 3839/4885CA2 3063/4885CA12 3961/4885

“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.