SCHEMBL4916452

SCHEMBL4916452

COc1ccc(/C=C2/NC(=S)N(/C=C3\C(=O)Oc4ccccc4C3=O)C2=O)cc1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SOS1 Q07889 6/20 1.00
▸ PSMB5 P28074 3/20 0.55
▸ PSMB1 P20618 2/20 0.55
▸ STK17B O94768 3/20 0.54
▸ HDAC3 O15379 1/20 0.54
▸ HDAC4 P56524 1/20 0.54
▸ HDAC1 Q13547 1/20 0.54
▸ HDAC7 Q8WUI4 1/20 0.54
▸ HDAC2 Q92769 1/20 0.54
▸ HDAC10 Q969S8 1/20 0.54
▸ HDAC11 Q96DB2 1/20 0.54
▸ HDAC8 Q9BY41 1/20 0.54
▸ HDAC6 Q9UBN7 1/20 0.54
▸ HDAC9 Q9UKV0 1/20 0.54
▸ HDAC5 Q9UQL6 1/20 0.54
▸ ALDH1A1 P00352 5/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ CYP2D6 P10635 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50

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
SCHEMBL4916464 1.00 SOS1 (1.00) SOS1PSMB5PSMB1STK17BHDAC3
SCHEMBL4338966 0.81 SOS1 (0.75) SOS1PSMB5STK17BALDH1A1CYP1A2
SCHEMBL4338972 0.81 SOS1 (0.75) SOS1PSMB5STK17BALDH1A1CYP1A2
SCHEMBL17762591 0.81 SOS1 (0.69) SOS1STK17BHDAC3HDAC4HDAC1
SCHEMBL4347750 0.79 SOS1 (0.78) SOS1ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL4347746 0.79 SOS1 (0.78) SOS1ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL4916369 0.79 SOS1 (0.74) SOS1ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL4916380 0.79 SOS1 (0.74) SOS1ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL4909985 0.79 SOS1 (0.65) SOS1PSMB5ALDH1A1CYP1A2CYP3A4
SCHEMBL4345256 0.79 SOS1 (0.65) SOS1PSMB5ALDH1A1CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080318987-A1 METHODS FOR MODULATING BONE FORMATION AND MINERALIZATION NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-12-25 — — US claimed
US-20080318987-A1 METHODS FOR MODULATING BONE FORMATION AND MINERALIZATION NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-12-25 — — 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 (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-20080318987-A1 METHODS FOR MODULATING BONE FORMATION AND MINERALIZATION BMP4, BMP2, SOST SOS1 1864/4885PSMB5 3492/4885PSMB1 4205/4885

“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.

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