SCHEMBL28515

SCHEMBL28515

O=[C]SCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
CYP2C19 P33261 1/20 0.42
IDO1 P14902 4/20 0.41
NOS3 P29474 1/20 0.41
NOS1 P29475 1/20 0.41
NOS2 P35228 1/20 0.41
MAOB P27338 3/20 0.40
POLB P06746 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MAOA P21397 2/20 0.39
CALM1 P0DP23 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
ALDH1A1 P00352 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38

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
SCHEMBL2074627 0.84 IDO1 (0.44) CTSLCTSBCYP2C19IDO1NOS3
SCHEMBL44259 0.79 IDO1 (0.44) CTSLCTSBCYP2C19IDO1NOS3
SCHEMBL4711079 0.78 CYP1A2 (0.45) CYP2C19NOS1MAOBHSD17B10MAOA
SCHEMBL3633725 0.76 IDO1 (0.45) IDO1MAOBMAOACA12CA1
SCHEMBL3634433 0.76 IDO1 (0.45) CYP2C19IDO1MAOBMAOAALDH1A1
SCHEMBL11103439 0.76 CTSL (0.41) CTSLCTSBCYP2C19IDO1NOS3
SCHEMBL9217746 0.75 MAOB (0.44) CTSLCTSBCYP2C19IDO1NOS3
SCHEMBL11384559 0.75 CYP1A2 (0.42) CTSLCTSBCYP2C19IDO1NOS3
SCHEMBL1679996 0.75 IDO1 (0.41) CTSLCTSBCYP2C19IDO1NOS3
Benzyl Thiocyanate SCHEMBL129196 0.75 MAOB (0.48) CTSLCTSBIDO1NOS3NOS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3315531-A1 8-ARM POLYETHYLENE GLYCOL DERIVATIVE, MANUFACTURING METHOD AND MODIFIED BIO-RELATED SUBSTANCE THEREBY Xiamen Sinopeg Biotech Co., Ltd. (CN) 2018-05-02 EP claimed
CN-104530417-B A kind of multiple functionalized H types polyethyleneglycol derivative and preparation method thereof 厦门赛诺邦格生物科技股份有限公司 2017-09-08 CN claimed
CN-104530415-B A kind of different functionalization Y types polyethyleneglycol derivative, preparation method and its bio-related substance 厦门赛诺邦格生物科技股份有限公司 2017-09-01 CN claimed
CN-104877127-A Eight-armed polyethylene glycol derivative, preparation method and related biological substance modified by derivative XIAMEN SINOPEG BIOTECH CO LTD 2015-09-02 CN claimed
CN-104725628-A Single functional branched polyethylene glycol containing degradable radical, preparation method and biorelevant substance of single functional branched polyethylene glycol XIAMEN SINOPEG BIOTECH CO LTD 2015-06-24 CN claimed
CN-104530415-A Hetero-functionalized Y-type polyethylene glycol derivative, preparation method and biologically related substance thereof XIAMEN SINOPEG BIOTECH INC 2015-04-22 CN claimed
CN-104530413-A Biologically related substances modified by multifunctional H-type polyethylene glycol derivative XIAMEN SINOPEG BIOTECH INC 2015-04-22 CN claimed
CN-104530417-A Multifunctional H-type polyethylene glycol derivative and preparation method thereof XIAMEN SINOPEG BIOTECH INC 2015-04-22 CN claimed
EP-1514542-B1 Medicinal composition comprising Tacrine or Donepezil for improving brain function. TOYAMA CHEMICAL CO LTD (JP) 2012-02-22 EP claimed
US-20080194693-A1 Aminoacetonitrile Derivatives and Their Use for Controlling Parasites on Warm-Blooded Animals NOVARTIS AG (CH) 2008-08-14 US claimed
US-6002016-A Fungicidal 2-imidazolin-5-ones and 2-imidazoline-5-thiones RHONE-POULENC AGROCHIMIE (FR) 1999-12-14 US claimed
WO-1998042698-A1 PYRAZOLE DERIVATIVES AS HERBICIDES NOVARTIS AG (CH) 1998-10-01 WO claimed
US-5650519-A Optically active 5, 5-disubstituted-3-(mono- or disubstituted amino)-2-thiohydantoin intermediates to fungicidal 2-imidazolin-5-ones RHONE-POULENC AGROCHIMIE (FR) 1997-07-22 US claimed
EP-0595125-B1 Substituted aza(cyclo) alkanes and their use as pesticides BAYER AG (DE) 1996-05-15 EP claimed
US-5461069-A Insecticides BAYER AKTIENGESELLSCHAFT (DE) 1995-10-24 US claimed
EP-0595125-A1 Substituted aza(cyclo) alkanes and their use as pesticides BAYER AG (DE) 1994-05-04 EP claimed
EP-0292822-B1 Substituted nitroalkenes BAYER AG (DE) 1994-01-12 EP claimed
US-4968695-A NEMATOCIDES, LARVICIDES BAYER AKTIENGESELLSCHAFT (DE) 1990-11-06 US claimed
EP-0292822-A2 Substituted nitroalkenes BAYER AG (DE) 1988-11-30 EP claimed
US-4150227-A Process for the production of basic substituted alkyl theophylline DEUTSCHE GOLD- UND SILBER-SCHEIDEANSTALT VORMALS ROESSLER (DE) 1979-04-17 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 (1 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-20080194693-A1 Aminoacetonitrile Derivatives and Their Use for Controlling Parasites on Warm-Blooded Animals MB, ACHE, ADORA2B CTSL 2448/4885CTSB 1739/4885CYP2C19 410/4885

“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.