SCHEMBL1073302

SCHEMBL1073302

CCCCc1ccccc1F

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.58
AOC3 Q16853 1/20 0.52
MPO P05164 3/20 0.47
LIPG Q9Y5X9 1/20 0.47
TLR8 Q9NR97 1/20 0.44
TYR P14679 1/20 0.44
IDO1 P14902 2/20 0.43
SLC6A4 P31645 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43

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
SCHEMBL14402410 0.93 TAAR1 (0.56) TAAR1AOC3MPOLIPGTLR8
SCHEMBL2584935 0.91 LIPG (0.58) TAAR1AOC3MPOLIPGTLR8
SCHEMBL7758952 0.91 LIPG (0.58) TAAR1AOC3MPOLIPGTLR8
SCHEMBL14402389 0.91 LIPG (0.58) TAAR1AOC3MPOLIPGTLR8
SCHEMBL2241863 0.91 LIPG (0.58) TAAR1AOC3MPOLIPGTLR8
SCHEMBL19540031 0.91 LIPG (0.58) TAAR1AOC3MPOLIPGTLR8
SCHEMBL19540033 0.91 LIPG (0.58) TAAR1AOC3MPOLIPGTLR8
Ethyne SCHEMBL27743288 0.90 TAAR1 (0.52) TAAR1AOC3MPOLIPGTLR8
SCHEMBL20382473 0.89 HTR2A (0.52) TAAR1AOC3LIPGSLC6A4CYP3A4
SCHEMBL30866618 0.86 TAAR1 (0.62) TAAR1AOC3MPOIDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108929210-A A kind of synthetic method of the fluoro- 2,2- dichloro propionic aldehyde of pesticide intermediate 3,3,3- tri- 江苏扬农化工集团有限公司 2018-12-04 CN claimed
US-4160036-A ADRENERGIC STIMULANTS ALLEN & HANBURYS LIMITED (GB) 1979-07-03 US claimed
US-20230022157-A1 PHARMACEUTICAL COMPOUNDS FOR THE TREATMENT OF COMPLEMENT FACTOR D MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2023-01-26 US disclosed
EP-3642198-B1 SMALL MOLECULE MODULATORS OF HUMAN STING CURADEV PHARMA LTD (GB) 2022-03-16 EP disclosed
US-20210395240-A1 NOVEL SUBSTITUTED PYRAZOLE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2021-12-23 US disclosed
EP-2968211-B1 PHENYL ALKYL CARBAMATE COMPOUNDS FOR USE IN PREVENTING OR TREATING EPILEPSY OR EPILEPSY-RELATED SYNDROME BIO PHARM SOLUTIONS CO LTD (KR) 2021-05-12 EP disclosed
US-10933054-B2 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease SHY Therapeutics LLC (US) 2021-03-02 US disclosed
US-10870657-B2 Compounds for the treatment of cancer and inflammatory disease SHY Therapeutics LLC (US) 2020-12-22 US disclosed
US-20200299246-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF CALICO LIFE SCIENCES LLC (US) 2020-09-24 US disclosed
WO-2020186199-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF CALICO LIFE SCIENCES LLC (US) 2020-09-17 WO disclosed
US-20200054614-A1 COMPOUNDS THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE SHY THERAPEUTICS, INC. 2020-02-20 US disclosed
US-20090155210-A1 OXIMYL HCV SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2009-06-18 US disclosed
US-20080187516-A1 ACYCLIC OXIMYL HEPATITIS C PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2008-08-07 US disclosed
US-20080125444-A1 ACYCLIC OXIMYL HEPATITIS C PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2008-05-29 US disclosed
WO-2008049919-A2 RHO KINASE INHIBITORS DEVGEN N.V. (BE) 2008-05-02 WO disclosed
CN-1057088-C Benzimidazole compounds, their use and preparation NEUROSEARCH AS (DK) 2000-10-04 CN disclosed
CN-1099391-A Benzimidazole compounds, their use and preparation NEUROSEARCH AS (JP) 1995-03-01 CN disclosed
CN-1061598-A Hydrazine class compound or its salt, its preparation method and contain the sterilant of this compounds ISHIHRA SANGYO KAISHA LTD (JP) 1992-06-03 CN disclosed
CN-86107990-A Herbicide 1987-07-01 CN disclosed
US-4160036-A ADRENERGIC STIMULANTS ALLEN & HANBURYS LIMITED (GB) 1979-07-03 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 (9 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-20210395240-A1 NOVEL SUBSTITUTED PYRAZOLE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE INHIBITORS IDO1, IDO2, TPH1 TAAR1 1521/4885AOC3 375/4885MPO 97/4885
US-20080125444-A1 ACYCLIC OXIMYL HEPATITIS C PROTEASE INHIBITORS CPN1, HPN, HCCS TAAR1 4253/4885AOC3 431/4885MPO 360/4885
US-10870657-B2 Compounds for the treatment of cancer and inflammatory disease MAPK6, MAP3K6, MAPK4 TAAR1 3699/4885AOC3 4229/4885MPO 290/4885
US-20230022157-A1 PHARMACEUTICAL COMPOUNDS FOR THE TREATMENT OF COMPLEMENT FACTOR D MEDICAL DISORDERS CFD, CFH, TFPI TAAR1 4621/4885AOC3 1249/4885MPO 674/4885
US-20200054614-A1 COMPOUNDS THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE HRAS, KRAS, NRAS TAAR1 4425/4885AOC3 4383/4885MPO 3042/4885
US-10933054-B2 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease HRAS, KRAS, NRAS TAAR1 4425/4885AOC3 4383/4885MPO 3042/4885
US-20090155210-A1 OXIMYL HCV SERINE PROTEASE INHIBITORS PRSS1, HPN, SPINT2 TAAR1 4215/4885AOC3 971/4885MPO 409/4885
US-20200299246-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF PTPN1, PTPN2, PTPN18 TAAR1 1638/4885AOC3 4260/4885MPO 3107/4885
US-20080187516-A1 ACYCLIC OXIMYL HEPATITIS C PROTEASE INHIBITORS CPN1, HPN, HCCS TAAR1 4253/4885AOC3 431/4885MPO 360/4885

“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.