SCHEMBL5843701

SCHEMBL5843701

CCCS(=O)(=O)Nc1c[c]c(F)cc1C#N

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 1/20 0.41
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
PGR P06401 3/20 0.36
ALDH1A1 P00352 1/20 0.36
HSD17B10 Q99714 1/20 0.36
BRAF P15056 10/20 0.35
BRD4 O60885 1/20 0.34
TP53 P04637 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PSIP1 O75475 1/20 0.32
ABL1 P00519 1/20 0.32

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
SCHEMBL5842931 0.90 PGR (0.43) SLC22A12PGRALDH1A1HSD17B10BRD4
SCHEMBL5843989 0.88 PGR (0.33) SLC22A12PGR
SCHEMBL5844494 0.81 SLC22A12 (0.32) SLC22A12PGR
SCHEMBL5842033 0.79 KIF11 (0.34) SLC22A12
SCHEMBL6591695 0.78 PGR (0.33) PGR
SCHEMBL5842212 0.77 CA2 (0.39) SLC22A12PGR
SCHEMBL5843987 0.75 ADRB2 (0.32)
SCHEMBL5842350 0.74 EGLN2 (0.38) SLC22A12BRD4
SCHEMBL5841544 0.73 SLC22A12 (0.38) SLC22A12PGRALDH1A1HSD17B10BRD4
SCHEMBL5842977 0.73 ACLY (0.46) SLC22A12GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020145790-A1 UV-protected electrochromic solution BERNETH HORST (DE) 2002-10-10 US claimed
US-20060076542-A1 UV absorber mixture with affinity for textile fiber BASF AKTIENGESELLSCHAFT (DE) 2006-04-13 US disclosed
US-7012041-B2 Phenylpyridazinones BAYER AG (DE) 2006-03-14 US disclosed
US-7011772-B2 UV absorbing mixture with textile fiber affinity BASF AKTIENGESELLSCHAFT (DE) 2006-03-14 US disclosed
US-20050249681-A1 Use of diketopiperazine derivatives as photostable uv-filters in cosmetic and pharmaceutical preparations BASF AKTIENGESELLSCHAFT (DE) 2005-11-10 US disclosed
US-20040074012-A1 Method for providing textile material with uv protection BASF AKTIENGESELLSCHAFT (DE) 2004-04-22 US disclosed
US-6680390-B2 SUNSCREEN AGENTS BASF AKTIENGESELLSCHAFT (DE) 2004-01-20 US disclosed
US-6603014-B1 Which carry electron-withdrawing substituents on the - ene double bond as light protection agents BASF AKTIENGESELLSCHAFT (DE) 2003-08-05 US disclosed
US-20030127633-A1 Uv absorbing mixture with textile fiber affinity BASF AKTIENGESELLSCHAFT (DE) 2003-07-10 US disclosed
US-20030119673-A1 Phenylpyridazinones LINKER KARL-HEINZ (DE) 2003-06-26 US disclosed
US-20020001570-A1 Use of sunscreen combinations comprising, as essential constituent, amino-substituted hydroxybenzophenones as photostable UV filters in cosmetic and pharmaceutical preparations BASF AKTIENGESELLSCHAFT (DE) 2002-01-03 US disclosed
US-6238649-B1 4,4-DIARYLBUTADIENES BASF AKTIENGESELLSCHAFT (DE) 2001-05-29 US disclosed
US-6191301-B1 PROTECTING THE HUMAN EPIDERMIS OR HUMAN HAIR FROM ULTRAVIOLET RADIATION, BOTH THE A AND B RAYS, SPECIFICALLY IN THE RANGE FROM 320 TO 400 NM; PROTECT OTHER INGREDIENTS FROM DECOMPOSITION OR BREAKDOWN BY UV RADIATION; BASF AKTIENGESELLSCHAFT (DE) 2001-02-20 US disclosed
US-6159455-A Dimeric α-alkylstyrene derivatives as photostable UV filters in cosmetic and pharmaceutical preparations BASF AKTIENGESELLSCHAFT (DE) 2000-12-12 US disclosed
US-6132703-A 3-ALKENYL-1,3-DIOXANE-2,4-DIONE SUNSCREENS BASF AKTIENGESELLSCHAFT (DE) 2000-10-17 US disclosed
US-6093385-A FOR PROTECTING THE HUMAN SKIN OR HUMAN HAIR FROM THE SUN'S RAYS BASF AKTIENGESELLSCHAFT (DE) 2000-07-25 US disclosed
US-6090374-A TREATING THE SKIN OR HAIR WITH EFFECTIVE AMOUNT OF ALPHA-STYRENE COMPOUND FOR PROTECTING THE HUMAN SKIN OR HAIR FROM ULTRAVIOLET RADIATION BASF AKTIENGESELLSCHAFT (DE) 2000-07-18 US disclosed
US-6069258-A SUNSCREEN AGENTS; PROTECTIVE COATINGS FOR SKIN BASF AKTIENGESELLSCHAFT (DE) 2000-05-30 US disclosed
US-6007828-A SUNSCREEN AGENT MIXTURE CONTAINING 1,1-DINITRILO-2,2-DIPHENYL ETHYLENE DERIVATIVE IN A COSMETIC CARRIER BASF AKTIENGESELLSCHAFT (DE) 1999-12-28 US disclosed
US-5968484-A APPLYING 2-ORGANOCARBONYLACRYLONITRILE DERIVATIVE AS SUNSCREEN AGENT BASF AKTIENGESELLSCHAFT (DE) 1999-10-19 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 (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-20030119673-A1 Phenylpyridazinones CYP2D6, CYP1A1, CYP1B1 SLC22A12 2765/4885CYP3A4 10/4885CYP2C9 21/4885
US-20050249681-A1 Use of diketopiperazine derivatives as photostable uv-filters in cosmetic and pharmaceutical preparations DHPS, MC1R, MITF SLC22A12 3713/4885CYP3A4 1030/4885CYP2C9 1134/4885
US-20020001570-A1 Use of sunscreen combinations comprising, as essential constituent, amino-substituted hydroxybenzophenones as photostable UV filters in cosmetic and pharmaceutical preparations TYR, HMBS, ERCC4 SLC22A12 2641/4885CYP3A4 115/4885CYP2C9 168/4885

“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.