SCHEMBL96903

SCHEMBL96903

O=[C]c1ccccc1C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.41
SLC22A12 Q96S37 2/20 0.40
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
ALDH1A1 P00352 3/20 0.39
POLB P06746 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NFKB1 P19838 1/20 0.38
AR P10275 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
IDO1 P14902 2/20 0.36
CNR2 P34972 1/20 0.35
TSHR P16473 1/20 0.35
HSD11B1 P28845 1/20 0.34
KIF11 P52732 1/20 0.34
HPGD P15428 1/20 0.34
TNF P01375 1/20 0.34

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
SCHEMBL7081519 0.83 AR (0.45) SLC22A12ALDH1A1ARHSD11B1HPGD
SCHEMBL17103426 0.82 SLC22A12 (0.32) FFAR1SLC22A12
SCHEMBL17103315 0.82 SLC22A12 (0.32) FFAR1SLC22A12
SCHEMBL2047141 0.80 EPHX2 (0.38) FFAR1SLC22A12LMNAGAAIDO1
SCHEMBL2088675 0.80 HSD11B1 (0.37) FFAR1SLC22A12LMNAGAAALDH1A1
SCHEMBL2515771 0.79 P2RX7 (0.44) SLC22A12ARPTGDR2
SCHEMBL17103292 0.79 ELANE (0.33) SLC22A12
SCHEMBL20237219 0.79 FFAR1 (0.32) FFAR1SLC22A12
SCHEMBL8059942 0.78 IDO1 (0.44) ALDH1A1TDP1ARKMT2AIDO1
SCHEMBL6689411 0.78 ALDH1A1 (0.40) FFAR1SLC22A12LMNAGAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4399212-A1 SUBSTITUTED 2,3-DIHYDRO[1,3]THIAZOLO[4,5-B]PYRIDINES, SALTS THEREOF AND THEIR USE AS HERBICIDALLY ACTIVE SUBSTANCES Bayer Aktiengesellschaft (DE) 2024-07-17 EP claimed
CN-118159542-A Substituted 2, 3-dihydro [1,3] thiazolo [4,5-b ] pyridines, salts thereof and their use as herbicidal agents 拜耳公司 2024-06-07 CN claimed
WO-2024094607-A1 ISOTOPE LABELED AND NON-LABELED GENTAMICIN C CONGENERS ROCHE DIAGNOSTICS GMBH (DE) 2024-05-10 WO claimed
CN-116063666-B Multifunctional polyester material and preparation method and application thereof 四川大学 2024-04-19 CN claimed
CN-117903168-A Pyrrolo [2,3-d ] thiazole derivatives, and preparation method and application thereof 南开大学 2024-04-19 CN claimed
US-20240033318-A1 PEPTIDYL INHIBITORS OF CALCINEURIN-NFAT INTERACTION OHIO STATE INNOVATION FOUNDATION 2024-02-01 US claimed
US-11739062-B2 Methods for 1,4-diazo N-heterocycle synthesis PURDUE RESEARCH FOUNDATION (US) 2023-08-29 US claimed
CN-116063666-A Multifunctional polyester material and preparation method and application thereof 四川大学 2023-05-05 CN claimed
WO-2023036707-A1 SUBSTITUTED 2,3-DIHYDRO[1,3]THIAZOLO[4,5-B]PYRIDINES, SALTS THEREOF AND THEIR USE AS HERBICIDALLY ACTIVE SUBSTANCES BAYER AKTIENGESELLSCHAFT (DE) 2023-03-16 WO claimed
US-11576946-B2 Peptidyl inhibitors of calcineurin-NFAT interaction OHIO STATE INNOVATION FOUNDATION (US) 2023-02-14 US claimed
EP-0113570-A1 5-(Amino or substituted amino) imidazoles MERCK & CO. INC. (US) 1984-07-18 EP claimed
US-4314839-A 1,2,3-Thiadiazole-5-carboxylic acid amide derivatives, process for making the same and herbicidal growth regulating defoliating and fungicidal compositions containing same SCHERING AKTIENGESELLSCHAFT (DE) 1982-02-09 US claimed
US-4301167-A ANTIINFLAMMATORY AGENTS, ANALGESICS INSTITUT MERIEUX (FR) 1981-11-17 US claimed
EP-0001947-B1 2-AMINO-THIAZOLINE DERIVATIVES, THEIR PREPARATION AND THEIR USE IN PHARMACEUTICAL PREPARATIONS INSTITUT MERIEUX (FR) 1981-10-14 EP claimed
US-4192868-A ANTIINFLAMMATORY, ANALGESIC CIBA-GEIGY CORPORATION (US) 1980-03-11 US claimed
EP-0001947-A1 2-Amino-thiazoline derivatives, their preparation and their use in pharmaceutical preparations INSTITUT MERIEUX (FR) 1979-05-16 EP claimed
WO-1979000231-A1 NEW THIAZOLINE DERIVATIVES AND THEIR APPLICATION AS MEDICINE MERIEUX INST (FR) 1979-05-03 WO claimed
US-4122280-A DIURETIC, SALURETIC, ANTIHYPERTENSIVE BAYER AKTIENGESELLSCHAFT (DE) 1978-10-24 US claimed
US-4069334-A DIURETICS, HYPOTENSIVES BAYER AKTIENGESELLSCHAFT (DT) 1978-01-17 US claimed
US-3975532-A ANALGESIC ICI UNITED STATES INC. (US) 1976-08-17 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-11739062-B2 Methods for 1,4-diazo N-heterocycle synthesis AOC1, NDC1, DDO FFAR1 4649/4885SLC22A12 4321/4885LMNA 1677/4885
US-20240033318-A1 PEPTIDYL INHIBITORS OF CALCINEURIN-NFAT INTERACTION CHP1, NFATC1, PPP3R1 FFAR1 3613/4885SLC22A12 3339/4885LMNA 4484/4885
US-11576946-B2 Peptidyl inhibitors of calcineurin-NFAT interaction CHP1, NFATC1, PPP3R1 FFAR1 3613/4885SLC22A12 3339/4885LMNA 4484/4885

“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.