SCHEMBL838599

SCHEMBL838599

O=C(c1ccccc1)c1ccsc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.61
FYN P06241 1/20 0.61
DAO P14920 1/20 0.61
ALDH1A1 P00352 2/20 0.61
CES2 O00748 1/20 0.58
CES1 P23141 1/20 0.58
HPGD P15428 2/20 0.56
KCNK3 O14649 1/20 0.53
KCNK9 Q9NPC2 1/20 0.53
ATM Q13315 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
SRD5A2 P31213 1/20 0.52
HDAC1 Q13547 1/20 0.50
HSD11B1 P28845 1/20 0.50
HPGDS O60760 1/20 0.48
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
GPR52 Q9Y2T5 1/20 0.46
LMNA P02545 2/20 0.45

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
Pyridine SCHEMBL28122273 0.89 KMT2A (0.58) LCKFYNDAOALDH1A1CES2
SCHEMBL2166098 0.89 CES2 (0.71) LCKFYNDAOALDH1A1CES2
Oxalic Acid SCHEMBL6968596 0.86 LCK (0.67) LCKFYNDAOALDH1A1CES2
Oxalic Acid SCHEMBL7445055 0.84 LCK (0.64) LCKFYNDAOALDH1A1CES2
Oxalic Acid SCHEMBL6968894 0.84 LCK (0.64) LCKFYNDAOALDH1A1CES2
SCHEMBL6966883 0.81 LMNA (0.62) LCKFYNDAOCES2CES1
SCHEMBL9260845 0.80 AKR1C3 (0.62) LCKFYNDAOALDH1A1CES2
SCHEMBL17100305 0.79 CES2 (0.54) LCKFYNDAOCES2CES1
SCHEMBL31612030 0.79 CES2 (0.54) LCKFYNDAOALDH1A1CES2
SCHEMBL20448559 0.79 SRD5A2 (0.55) LCKFYNDAOCES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112442008-A Method for preparing 1, 4-dithiine and thiophene compounds by regulating elemental sulfur and active internal alkyne at temperature and conversion reaction of compound 华南理工大学 2021-03-05 CN claimed
US-6096124-A Ink compositions XEROX CORPORATION (US) 2000-08-01 US claimed
CN-113045530-B Method for preparing naphthopyran compounds by ruthenium catalysis 成都大学 2024-04-09 CN disclosed
CN-112442008-B Method for preparing 1, 4-dithiine and thiophene compounds by regulating elemental sulfur and active internal alkyne at temperature and conversion reaction of compound 华南理工大学 2022-05-27 CN disclosed
EP-3162799-B1 FLUOROALKYLATING AGENT KUMIAI CHEMICAL INDUSTRY CO (JP) 2021-03-10 EP disclosed
CN-112442008-A Method for preparing 1, 4-dithiine and thiophene compounds by regulating elemental sulfur and active internal alkyne at temperature and conversion reaction of compound 华南理工大学 2021-03-05 CN disclosed
US-10696640-B2 Fluoroalkylating agent KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2020-06-30 US disclosed
CN-106573896-B Fluoroalkylating agents KUMIAI CHEMICAL INDUSTRY CO.,LTD. (JP) 2019-11-01 CN disclosed
US-20190233380-A1 FLUOROALKYLATING AGENT KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2019-08-01 US disclosed
US-10308613-B2 Fluoroalkylating agent KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2019-06-04 US disclosed
US-20170197920-A1 FLUOROALKYLATING AGENT IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2017-07-13 US disclosed
EP-0268396-B1 4-(BENZOYL)THIOPHENE(OR FURAN)-SULFONAMIDE AND DERIVATIVES THEREOF FOR THE TOPICAL TREATMENT OF ELEVATED INTRAOCULAR PRESSURES MERCK & CO. INC. (US) 1990-11-28 EP disclosed
EP-0140540-B1 PHOTOCHROMIC COMPOUNDS AND THEIR USES IN PHOTOREACTIVE LENSES THE PLESSEY COMPANY plc (GB) 1990-05-09 EP disclosed
EP-0268396-A1 4-(benzoyl)thiophene(or furan)-sulfonamide and derivatives thereof for the topical treatment of elevated intraocular pressures MERCK & CO. INC. (US) 1988-05-25 EP disclosed
US-4685783-A Polychromic tetracyclo-spiro-adamatylidene derivatives, and polychromic lens incorporating said compounds THE PLESSEY COMPANY P.L.C. (GB) 1987-08-11 US disclosed
EP-0140540-A2 Photochromic compounds and their uses in photoreactive lenses THE PLESSEY COMPANY plc (GB) 1985-05-08 EP disclosed
US-4477635-A Polymeric triarylmethane dyes MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1984-10-16 US disclosed
EP-0070039-A2 Polymerization catalyst and process for polymerizing alpha-olefins PHILLIPS PETROLEUM COMPANY (US) 1983-01-19 EP disclosed
US-4243552-A MAGNESIUM CHLORIDE OR MANGANESE CHLORIDE AND ADJUVANT PHILLIPS PETROLEUM COMPANY (US) 1981-01-06 US disclosed
EP-0012397-A1 Polymerization catalyst and process for polymerizing alpha-olefins PHILLIPS PETROLEUM COMPANY (US) 1980-06-25 EP 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-10308613-B2 Fluoroalkylating agent AFF1, AFF4, AFF2 LCK 1400/4885FYN 743/4885DAO 2296/4885
US-10696640-B2 Fluoroalkylating agent AFF1, AFF4, AFF2 LCK 1400/4885FYN 743/4885DAO 2296/4885
US-20190233380-A1 FLUOROALKYLATING AGENT AFF1, AFF4, AFF2 LCK 1400/4885FYN 743/4885DAO 2296/4885
US-20170197920-A1 FLUOROALKYLATING AGENT AFF1, AFF4, AFF2 LCK 1400/4885FYN 743/4885DAO 2296/4885

“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.