SCHEMBL17609451

SCHEMBL17609451

O=S(=O)(Nc1ccccc1)c1ccc(F)cc1F

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTK2B Q14289 1/20 0.55
AVPR2 P30518 1/20 0.53
GPR27 Q9NS67 1/20 0.53
POLB P06746 1/20 0.52
PIK3CB P42338 1/20 0.52
CCR2 P41597 2/20 0.51
FABP4 P15090 1/20 0.51
FABP5 Q01469 1/20 0.51
TET2 Q6N021 1/20 0.50
TP53 P04637 3/20 0.49
LMNA P02545 2/20 0.49
MAPT P10636 2/20 0.49
ALDH1A1 P00352 1/20 0.49
IL1RN P18510 1/20 0.48
KEAP1 Q14145 1/20 0.48
ERAP1 Q9NZ08 1/20 0.48
RORC P51449 1/20 0.48
BRD4 O60885 1/20 0.48
PKM P14618 1/20 0.47
USP2 O75604 1/20 0.47

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
SCHEMBL7593952 0.87 AVPR2 (0.56) AVPR2GPR27ALDH1A1IL1RNKEAP1
SCHEMBL8113005 0.85 POLB (0.51) POLBPIK3CBCCR2TP53LMNA
SCHEMBL7591202 0.84 CCR2 (0.60) POLBCCR2BRD4
SCHEMBL7837492 0.83 KMT2A (0.56) PTK2BPOLBTET2MAPTALDH1A1
SCHEMBL3762799 0.83 CA12 (0.56) PTK2BPOLBTET2LMNAMAPT
SCHEMBL3771893 0.83 CCR2 (0.60) PTK2BGPR27CCR2TET2
SCHEMBL8125111 0.83 GAA (0.54) AVPR2GPR27POLBPIK3CBCCR2
SCHEMBL97723 0.83 POLB (0.50) POLBPIK3CBCCR2FABP4FABP5
SCHEMBL7572525 0.83 CCR2 (0.63) POLBPIK3CBCCR2RORCBRD4
SCHEMBL15713386 0.83 PTK2B (0.59) PTK2BPOLBFABP4FABP5LMNA

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170260187-A1 NEW AGENTS FOR TREATING NEUROGENIC INFLAMMATION AND NEUROPATHIC HYPERALGESIA RELATED DISORDERS PÉCSI TUDOMÁNYEGYETEM (HU) 2017-09-14 US claimed
EP-3194399-A1 NEW AGENTS FOR TREATING NEUROGENIC INFLAMMATION AND NEUROPATHIC HYPERALGESIA RELATED DISORDERS Pécsi Tudományegyetem (HU) 2017-07-26 EP claimed
WO-2016042349-A1 NEW AGENTS FOR TREATING NEUROGENIC INFLAMMATION AND NEUROPATHIC HYPERALGESIA RELATED DISORDERS PÉCSI TUDOMÁNYEGYETEM (HU) 2016-03-24 WO claimed
US-10344032-B2 Agents for treating neurogenic inflammation and neuropathic hyperalgesia related disorders PÉCSI TUDOMÁNYEGYETEM (HU) 2019-07-09 US disclosed
US-20170260187-A1 NEW AGENTS FOR TREATING NEUROGENIC INFLAMMATION AND NEUROPATHIC HYPERALGESIA RELATED DISORDERS PÉCSI TUDOMÁNYEGYETEM (HU) 2017-09-14 US disclosed
EP-3194399-A1 NEW AGENTS FOR TREATING NEUROGENIC INFLAMMATION AND NEUROPATHIC HYPERALGESIA RELATED DISORDERS Pécsi Tudományegyetem (HU) 2017-07-26 EP disclosed
WO-2016042349-A1 NEW AGENTS FOR TREATING NEUROGENIC INFLAMMATION AND NEUROPATHIC HYPERALGESIA RELATED DISORDERS PÉCSI TUDOMÁNYEGYETEM (HU) 2016-03-24 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 (2 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-10344032-B2 Agents for treating neurogenic inflammation and neuropathic hyperalgesia related disorders TRPV1, P2RX3, P2RX7 PTK2B 2403/4885AVPR2 551/4885GPR27 73/4885
US-20170260187-A1 NEW AGENTS FOR TREATING NEUROGENIC INFLAMMATION AND NEUROPATHIC HYPERALGESIA RELATED DISORDERS TRPV1, P2RX3, P2RX4 PTK2B 2080/4885AVPR2 393/4885GPR27 75/4885

“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.