SCHEMBL4935480

SCHEMBL4935480

CCCCCCCCSC#N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.42
THRB P10828 2/20 0.42
ALDH3A1 P30838 1/20 0.37
HSD17B10 Q99714 4/20 0.37
TP53 P04637 2/20 0.37
CES2 O00748 1/20 0.37
CTSL P07711 1/20 0.37
CTSB P07858 1/20 0.37
GMNN O75496 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
CYP2C9 P11712 1/20 0.37
BLM P54132 1/20 0.37
ALDH1A1 P00352 3/20 0.36
HPGD P15428 1/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HIF1A Q16665 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
NAAA Q02083 1/20 0.36

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
SCHEMBL3507116 1.00
SCHEMBL7188040 1.00 TSHR (0.42) TSHRTHRBALDH3A1HSD17B10TP53
SCHEMBL3409351 1.00 TSHR (0.42) TSHRTHRBALDH3A1HSD17B10TP53
SCHEMBL9451397 1.00 TSHR (0.42) TSHRTHRBALDH3A1HSD17B10TP53
SCHEMBL7133112 1.00 TSHR (0.42) TSHRTHRBALDH3A1HSD17B10TP53
SCHEMBL6580529 1.00 TSHR (0.42) TSHRTHRBALDH3A1HSD17B10TP53
SCHEMBL6241827 1.00 TSHR (0.42) TSHRTHRBALDH3A1HSD17B10TP53
SCHEMBL4284127 1.00 TSHR (0.42) TSHRTHRBALDH3A1HSD17B10TP53
SCHEMBL1873873 1.00 TSHR (0.42) TSHRTHRBALDH3A1HSD17B10TP53
SCHEMBL4958752 1.00 TSHR (0.42) TSHRTHRBALDH3A1HSD17B10TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0631982-B1 Silica based aggregates, elastomers reinforced therewith and tire with tread thereof GOODYEAR TIRE & RUBBER (US) 2002-01-09 EP claimed
US-6068694-A Silica based aggregates, elastomers reinforced therewith and tire with tread thereof THE GOODYEAR TIRE & RUBBER COMPANY (US) 2000-05-30 US claimed
EP-0631982-A2 Silica based aggregates, elastomers reinforced therewith and tire with tread thereof THE GOODYEAR TIRE & RUBBER COMPANY (US) 1995-01-04 EP claimed
EP-3162799-B1 FLUOROALKYLATING AGENT KUMIAI CHEMICAL INDUSTRY CO (JP) 2021-03-10 EP 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-3162799-A1 FLUOROALKYLATING AGENT Ihara Chemical Industry Co., Ltd. (JP) 2017-05-03 EP disclosed
WO-2015132802-A2 A PROCESS FOR SYNTHESIS OF SINGLE LAYER METAL SHEETS COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2015-09-11 WO disclosed
EP-0211065-B1 CORROSION INHIBITOR FOR HIGH DENSITY BRINES THE DOW CHEMICAL COMPANY (US) 1990-07-18 EP disclosed
US-4877899-A LARVACIDES, INSECTICIDES; SULFUR-SUBSTITUTED ALKENYL COMPOUNDS SANDOZ LTD. (CH) 1989-10-31 US disclosed
US-4801394-A TRIAZINE-DITHIOL COMPOUND FOR COATING HEAT EXCHANGE TUBES Nakamura, Yoshiro (JP) 1989-01-31 US disclosed
EP-0211065-A4 CORROSION INHIBITOR FOR HIGH DENSITY BRINES. DOW CHEMICAL CO (US) 1988-07-29 EP disclosed
US-4668666-A INSECTICIDES ADAMS VETERINARY RESEARCH LABORATORIES (US) 1987-05-26 US disclosed
EP-0211065-A1 CORROSION INHIBITOR FOR HIGH DENSITY BRINES. DOW CHEMICAL CO (US) 1987-02-25 EP disclosed
WO-1986004634-A1 CORROSION INHIBITOR FOR HIGH DENSITY BRINES THE DOW CHEMICAL COMPANY (US) 1986-08-14 WO disclosed
US-4601933-A TRIAZINEDITHIOL Nakamura, Yoshiro (JP) 1986-07-22 US disclosed
WO-1986003374-A1 LONG-ACTING PYRETHRUM/PYRETHROID BASED PESTICIDES WITH SILICONE STABILIZERS ADAMS VETERINARY RESEARCH LABORATORIES, INC. (US) 1986-06-19 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-10308613-B2 Fluoroalkylating agent AFF1, AFF4, AFF2 TSHR 270/4885THRB 3128/4885ALDH3A1 2205/4885
US-10696640-B2 Fluoroalkylating agent AFF1, AFF4, AFF2 TSHR 270/4885THRB 3128/4885ALDH3A1 2205/4885
US-20190233380-A1 FLUOROALKYLATING AGENT AFF1, AFF4, AFF2 TSHR 270/4885THRB 3128/4885ALDH3A1 2205/4885
US-20170197920-A1 FLUOROALKYLATING AGENT AFF1, AFF4, AFF2 TSHR 270/4885THRB 3128/4885ALDH3A1 2205/4885

“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.