SCHEMBL679313

SCHEMBL679313

O=C(Cl)c1cc(F)cc(C(F)(F)F)c1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CES2 O00748 4/20 0.52
VNN1 O95497 5/20 0.43
RXRA P19793 2/20 0.41
RXRB P28702 2/20 0.41
RXRG P48443 2/20 0.41
CES1 P23141 2/20 0.41
DDR1 Q08345 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
NOTUM Q6P988 1/20 0.39
GAA P10253 1/20 0.39
GPBAR1 Q8TDU6 1/20 0.37
XPO1 O14980 1/20 0.37

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
SCHEMBL29593993 1.00 CES2 (0.52) CES2VNN1RXRARXRBRXRG
SCHEMBL322157 0.87 CES2 (0.67) CES2RXRARXRBRXRGCES1
SCHEMBL8703955 0.84 CES2 (0.41) CES2VNN1RXRARXRBRXRG
SCHEMBL27757817 0.83 CES2 (0.56) CES2VNN1RXRARXRBRXRG
SCHEMBL8109410 0.83 CES2 (0.43) CES2VNN1RXRARXRBRXRG
SCHEMBL586089 0.82 HCAR1 (0.55) CES2VNN1RXRARXRBRXRG
SCHEMBL30770849 0.82 HCAR1 (0.55) CES2VNN1RXRARXRBRXRG
SCHEMBL1827001 0.82 CES2 (0.54) CES2VNN1RXRARXRBRXRG
SCHEMBL114867 0.80 CES2 (0.62) CES2CES1HDAC1HDAC6
SCHEMBL2293145 0.80 CES2 (0.55) CES2CES1HDAC1HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7553911-B2 Coated polydivinylbenzene beads JORDI FLP (US) 2009-06-30 US claimed
US-20080255269-A1 Polystyrene divinylbenzene copolymer having a fluorinated, amidated surface; high performance liquid chromatography tationary phase JORDI HOWARD C 2008-10-16 US claimed
US-20260131009-A1 BIFUNCTIONAL PI3K-ALPHA INHIBITORS AND USES THEREOF RELAY THERAPEUTICS INC (US) 2026-05-14 US disclosed
US-12583851-B2 Heteroaryl-substituted pyrazine derivatives as pesticides ELANCO ANIMAL HEALTH GMBH (DE) 2026-03-24 US disclosed
US-12581252-B2 Substituted pyrrolo[3,4-b]pyridines as PI3K-α inhibitors RELAY THERAPEUTICS, INC. (US) 2026-03-17 US disclosed
EP-4585596-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF Shanghai Yingli Pharmaceutical Co., Ltd (CN) 2025-07-16 EP disclosed
CN-120152713-A Tricyclic aryl derivatives and compositions and methods thereof 昂胜医疗科技公司 2025-06-13 CN disclosed
EP-4561562-A2 TRICYCLIC ARYL DERIVATIVES, AND COMPOSITIONS AND METHODS THEREOF Ensem Therapeutics, Inc. (US) 2025-06-04 EP disclosed
EP-4561563-A2 TRICYCLIC ARYL DERIVATIVES, AND COMPOSITIONS AND METHODS THEREOF Ensem Therapeutics, Inc. (US) 2025-06-04 EP disclosed
US-20250171444-A1 PI3Ka INHIBITORS PIKAVATION THERAPEUTICS, INC. 2025-05-29 US disclosed
CN-119947718-A Tricyclic aryl derivatives, and compositions and methods thereof 昂胜医疗科技公司 2025-05-06 CN disclosed
US-5891875-A Morpholinyl tachykinin receptor antagonists ELI LILLY AND COMPANY (US) 1999-04-06 US disclosed
EP-0880558-A1 COMBINATORIAL PROCESS FOR PREPARING SUBSTITUTED INDANE LIBRARIES ELI LILLY AND COMPANY (US) 1998-12-02 EP disclosed
US-5824678-A TREATMENT OF PAIN, INFLAMMATION, MIGRAINE, EMESIS; PREPARATION THEREOF MERCK SHARP & DOHME LTD. (GB) 1998-10-20 US disclosed
EP-0825164-A2 Scavenger assisted combinatorial process for preparing libraries of amides, carbamates and sulfonamides ELI LILLY AND COMPANY (US) 1998-02-25 EP disclosed
WO-1997026300-A1 COMBINATORIAL PROCESS FOR PREPARING SUBSTITUTED INDANE LIBRARIES ELI LILLY AND COMPANY (US) 1997-07-24 WO disclosed
US-5612337-A ANALGESIC COMPOUNDS FOR PRODRUGS MERCK SHARP & DOHME LIMITED (GB) 1997-03-18 US disclosed
US-5610159-A N-oxides of morpholine derivatives and their use as therapeutic agents MERCK SHARP & DOHME LIMITED (GB) 1997-03-11 US disclosed
EP-0737192-A1 SUBSTITUTED MORPHOLINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS MERCK SHARP & DOHME LTD. (GB) 1996-10-16 EP disclosed
WO-1995018124-A1 SUBSTITUTED MORPHOLINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS MERCK SHARP & DOHME LIMITED (GB) 1995-07-06 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 (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-12583851-B2 Heteroaryl-substituted pyrazine derivatives as pesticides CBR3, CYCS, CWC15 CES2 122/4885VNN1 2902/4885RXRA 3466/4885
US-20260131009-A1 BIFUNCTIONAL PI3K-ALPHA INHIBITORS AND USES THEREOF PIK3R5, PIK3R4, PIK3R1 CES2 2908/4885VNN1 3250/4885RXRA 2143/4885
US-20250171444-A1 PI3Ka INHIBITORS PIK3CA, PIK3C2A, PIK3R5 CES2 3305/4885VNN1 4304/4885RXRA 2899/4885
US-12581252-B2 Substituted pyrrolo[3,4-b]pyridines as PI3K-α inhibitors RORB, ROR1, RORA CES2 1588/4885VNN1 4430/4885RXRA 194/4885

“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.